SCHEMBL1502203

SCHEMBL1502203

Oc1[c]cc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.50
MMP3 P08254 1/20 0.50
ALDH1A1 P00352 4/20 0.43
ALOX5 P09917 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MGLL Q99685 1/20 0.39
ESR2 Q92731 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ESR1 P03372 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL4823334 0.83 ESR1 (0.55) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL4829819 0.76 CYP2A6 (0.56) ALDH1A1CA1CA2HSD17B10MAPT
SCHEMBL23467152 0.75 BCL2L1 (0.48) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL2958548 0.73 ALDH1A1 (0.45) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL2448169 0.73 ALDH1A1 (0.45) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL273759 0.71 HSD17B10 (0.50) BCL2L1MMP3ALDH1A1CA1CA2
SCHEMBL457757 0.71 ALDH1A1 (0.50) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL454694 0.71 ALDH1A1 (0.43) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL458242 0.71 CYP1A2 (0.50) BCL2L1MMP3ALDH1A1ALOX5CA1
SCHEMBL4023309 0.71 MAPT (0.42) BCL2L1MMP3ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 EP claimed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
CN-112105611-A Pharmaceutical combination comprising a Histone Deacetylase (HDAC) inhibitor and a TLR7 agonist and/or a TLR8 agonist for the treatment of cancer 4SC股份公司 2020-12-18 CN disclosed
CN-112055589-A Combination comprising an HDAC inhibitor, a LAG-3 inhibitor and a PD-1 inhibitor or a PD-L1 inhibitor for the treatment of cancer 4SC股份公司 2020-12-08 CN disclosed
CN-112004535-A Combination comprising an HDAC inhibitor and a CD137 agonist for cancer therapy 4SC股份公司 2020-11-27 CN disclosed
CN-111432884-A Combination of HDAC inhibitors with immune checkpoint modulators for cancer therapy 4SC股份公司 2020-07-17 CN disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
US-5512584-A 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-04-30 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 (4 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R BCL2L1 4472/4885MMP3 4690/4885ALDH1A1 3674/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R BCL2L1 4106/4885MMP3 4246/4885ALDH1A1 2779/4885
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 BCL2L1 4152/4885MMP3 4827/4885ALDH1A1 1884/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT BCL2L1 3567/4885MMP3 1154/4885ALDH1A1 983/4885

“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.