SCHEMBL2107923

SCHEMBL2107923

[O]Cc1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DAO P14920 1/20 0.52
HDAC3 O15379 2/20 0.50
MET P08581 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6961498 0.85 DAO (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL6598156 0.85 ALDH1A1 (0.53) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL21169605 0.85 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL359532 0.81 NPC1 (0.53) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL4375850 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL1721002 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL507149 0.81 ALDH1A1 (0.58) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL30586439 0.81 ALDH1A1 (0.58) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL19338490 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL4075213 0.81 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459150-A Treatment of allergies and inflammatory diseases ABBOTT LABORATORIES (US) 1995-10-17 US claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
US-8158362-B2 Methods of diagnosing susceptibility to myocardial infarction and screening for an LTA4H haplotype DECODE GENETICS EHF. (IS) 2012-04-17 US disclosed
US-7851486-B2 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2010-12-14 US disclosed
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment DECODE GENETICS EHF. (IS) 2010-08-26 US disclosed
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment DECODE GENETICS EHF. (IS) 2008-11-27 US disclosed
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS EHF. (IS) 2005-12-22 US disclosed
EP-1579010-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT Decode Genetics EHF. (IS) 2005-09-28 EP disclosed
WO-2005075022-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFRACTION, STROKE, AND PAOD; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2005-08-18 WO disclosed
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 DECODE GENETICS EHF. (IS) 2005-05-26 US disclosed
WO-2004035741-A2 SUSCEPTIBILITY GENE FOR MYOCARDIAL INFARCTION; METHODS OF TREATMENT DECODE GENETICS EHF. (IS) 2004-04-29 WO disclosed
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
US-6642255-B2 Substituted carbocyclic or heterocyclic hydroxamic acid derivatives, e.g., (3R,4S)-N-hydroxy-1-methyl-3-(((4-((2-methyl-4 -quinolinyl)methoxylphenyl)sulfonyl)methyl)-4-piperidinecarboxamide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-11-04 US disclosed
EP-1355648-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) Bristol-Myers Squibb Pharma Company (US) 2003-10-29 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed
WO-2002055491-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 NPC1 1062/4885POLB 539/4885RAB9A 4775/4885
US-20100216863-A1 Susceptibility Gene for Myocardial Infarction, Stroke, and PAOD; Methods of Treatment ALOX15B, ALOX15, ALOX5 NPC1 2179/4885POLB 1741/4885RAB9A 1992/4885
US-20080293750-A1 Susceptibility Gene for Myocardial Infarction, Stroke, Paod and Methods of Treatment PLAAT3, PLAAT2, PLA2G7 NPC1 3521/4885POLB 1810/4885RAB9A 3102/4885
US-20050113408-A1 peripheral arterial occlusive disease (PAOD); prophylaxis of myocardial infarction by administering an agent that inhibits leukotriene synthesis in vivo for example (R)-(+)-alpha-cyclopentyl-4-(2-quinolinylmethoxy)-Benzeneacetic acid, BAY-X-1005 ALOX5, ALOX15, ALOX12 NPC1 4682/4885POLB 251/4885RAB9A 4192/4885
US-20050282855-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment PLAAT3, PLAAT2, PLA2G7 NPC1 4149/4885POLB 897/4885RAB9A 3091/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885POLB 539/4885RAB9A 4775/4885

“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.