SCHEMBL695464

SCHEMBL695464

FC(F)(F)c1cccc(-c2c[c]ccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
MAOB P27338 1/20 0.45
CTSS P25774 1/20 0.44
KDM1A O60341 1/20 0.44
KIF11 P52732 1/20 0.43
NOTUM Q6P988 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PGR P06401 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
SCN2A Q99250 2/20 0.41
HTR2C P28335 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39

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
SCHEMBL3543869 0.87 RXRA (0.41) IDO1CTSSKIF11NOTUMTSHR
SCHEMBL1263144 0.82 TSHR (0.58) IDO1MAOBCTSSKDM1AKIF11
SCHEMBL29678302 0.82 TSHR (0.58) IDO1MAOBCTSSKDM1AKIF11
SCHEMBL2257639 0.81 KIF11 (0.53) CTSSKIF11
SCHEMBL694432 0.81 KIF11 (0.59) MAOBKIF11TSHRALDH1A1
SCHEMBL142774 0.81 MAOB (0.51) IDO1MAOBCTSSKDM1AKIF11
SCHEMBL17200836 0.80 MEN1 (0.39) CA12CA9
SCHEMBL17200853 0.80 MEN1 (0.39) CA12CA9
Ammonia Solution, Strong SCHEMBL20472961 0.80 MAOB (0.56) IDO1MAOBCTSSKDM1AKIF11
SCHEMBL3371 0.78 TSHR (0.48) IDO1KIF11TSHRMAPK1HTR2C

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment 4SC AG (DE) 2023-06-29 US disclosed
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-05-20 US disclosed
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy 4SC AG (DE) 2021-04-22 US disclosed
WO-2021064188-A1 COMBINATION COMPRISING HDAC INHIBITOR, CTLA-4 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-04-08 WO disclosed
EP-3781557-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER 4SC AG (DE) 2021-02-24 EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
US-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 US 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 (6 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP IDO1 660/4885MAOB 437/4885CTSS 104/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA IDO1 1554/4885MAOB 428/4885CTSS 623/4885
US-20210145799-A1 PHARMACEUTICAL COMBINATION PRODUCTS COMPRISING A HISTONE DEACETYLASE (HDAC) INHIBITOR AND A TLR7 AGONIST AND/OR TLR8 AGONIST FOR THE TREATMENT OF CANCER HDAC8, TLR8, TLR7 IDO1 657/4885MAOB 2002/4885CTSS 1520/4885
US-20210113528-A1 Combination comprising HDAC inhibitor and CD137 agonist for cancer therapy HDAC7, HDAC1, HDAC11 IDO1 3806/4885MAOB 4356/4885CTSS 566/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA IDO1 1554/4885MAOB 428/4885CTSS 623/4885
US-20230201161-A1 Combination comprising HDAC inhibitor, LAG-3 inhibitor and a PD-1 inhibitor or PD-L1 inhibitor for cancer treatment HDAC1, HDAC3, HDAC11 IDO1 82/4885MAOB 4019/4885CTSS 1578/4885

“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.