SCHEMBL654153

SCHEMBL654153

Fc1ccc([CH]Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.52
MAOB P27338 2/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
KMT2A Q03164 2/20 0.38
BCHE P06276 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8210813 0.91 NFE2L2 (0.52) NFE2L2MAOBALDH1A1MAPTALOX15
SCHEMBL8364378 0.89 TRPA1 (0.45) NFE2L2MAOBKMT2ATRPA1
SCHEMBL69726 0.84 MAOB (0.57) MAOBALDH1A1ALOX15TSHRTRPA1
SCHEMBL7814468 0.83 NFE2L2 (0.48) NFE2L2GRIN1GRIN2BALDH1A1MAPT
SCHEMBL5941183 0.82 NFE2L2 (0.50) NFE2L2MAOBALDH1A1SMN1; SMN2
SCHEMBL8712652 0.80 MAOB (0.48) MAOBGRIN2BALDH1A1MAPTTSHR
SCHEMBL3274573 0.79 NFE2L2 (0.57) NFE2L2ALDH1A1MAPTACHEKMT2A
SCHEMBL16178490 0.79 MAPT (0.49) ALDH1A1MAPTKMT2ATRPA1SMN1; SMN2
SCHEMBL8199494 0.78 MAOB (0.46) MAOBALDH1A1MAPTTSHRACHE
SCHEMBL8196750 0.78 G6PC1 (0.49) MAOBGRIN1GRIN2BMAPTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US claimed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US claimed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US claimed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US claimed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP claimed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO claimed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO claimed
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN claimed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
US-5708004-A ENZYME INHIBITORS FOR TREATMENT OF AIDS MONSANTO COMPANY (US) 1998-01-13 US claimed
EP-0558657-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1997-01-08 EP claimed
CN-113924294-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-11 CN disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
CN-102292321-A Pyrazolyl-substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor for the treatment of receptor-related disorders 2011-12-21 CN disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5840722-A ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5703017-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
CN-1121711-A 3-(hetero)aryl carboxylic acid derivatives, methods of preparing them and intermediates used in their preparation BASF AG (DE) 1996-05-01 CN disclosed
US-5159117-A Reacting ketone or aldehyde with nitrites in presence of acid catalyst BASF AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
EP-0472118-A1 Process for production of alpha,alpha-dialkoxycetones BASF Aktiengesellschaft (DE) 1992-02-26 EP disclosed
EP-0285985-A1 3-Substituted 1-(2-chlorothiazol-5-yl-methyl)-2-nitroimino-1,3-diazacycloalkanes BAYER AG (DE) 1988-10-12 EP disclosed
EP-0285985-A1 3-Substituted 1-(2-chlorothiazol-5-yl-methyl)-2-nitroimino-1,3-diazacycloalkanes BAYER AG (DE) 1988-10-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 NFE2L2 2641/4885MAOB 2674/4885GRIN1 3940/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 NFE2L2 2641/4885MAOB 2674/4885GRIN1 3940/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 NFE2L2 3301/4885MAOB 2336/4885GRIN1 3783/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 NFE2L2 2053/4885MAOB 2619/4885GRIN1 3164/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 NFE2L2 2491/4885MAOB 2347/4885GRIN1 3490/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.