SCHEMBL2909426

SCHEMBL2909426

Cc1cccc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
PRNP P04156 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 1/20 0.44
GPR35 Q9HC97 2/20 0.44
ALOX15 P16050 2/20 0.42
PARP1 P09874 4/20 0.42
PARP2 Q9UGN5 1/20 0.42
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
IGFBP3 P17936 1/20 0.41

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
Xanthurenate SCHEMBL379760 0.85 KDM4E (0.59) KDM4ETDP1MAPTRAB9AKMT2A
Xanthurenate SCHEMBL29394132 0.85 KDM4E (0.59) KDM4ETDP1MAPTRAB9AKMT2A
Xanthurenate SCHEMBL29911018 0.85 KDM4E (0.59) KDM4ETDP1MAPTRAB9AKMT2A
SCHEMBL2807297 0.84 KDM4E (0.60) KDM4ETDP1MAPTRAB9ALMNA
SCHEMBL1401134 0.83 MAPT (0.45) KDM4EMAPTLMNAKMT2AHPGD
SCHEMBL20606488 0.81 CYP1A2 (0.54) KDM4ETDP1MAPTKMT2AGAA
SCHEMBL6594758 0.81 KDM4E (0.46) KDM4ETDP1MAPTRAB9AKMT2A
SCHEMBL3333164 0.81 GRM2 (0.48) KDM4ETDP1MAPTRAB9AKMT2A
SCHEMBL6080058 0.81 KDM4E (0.46) KDM4ETDP1MAPTRAB9AKMT2A
SCHEMBL6080750 0.81 KDM4E (0.46) KDM4ETDP1MAPTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
EP-1633737-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
CN-1747732-A 2-aminocarbonyl-quinoline compounds as platelet adenosine diphosphate receptor antagonists SCHERING AG (DE) 2006-03-15 CN disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
WO-2004113323-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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 (7 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-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists CCRL2, CCR5, CCR1 KDM4E 2423/4885TDP1 4744/4885MAPT 3691/4885
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 KDM4E 4082/4885TDP1 1982/4885MAPT 4866/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R KDM4E 4333/4885TDP1 1671/4885MAPT 4857/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R KDM4E 4333/4885TDP1 1671/4885MAPT 4857/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 KDM4E 4372/4885TDP1 1534/4885MAPT 4869/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B KDM4E 4378/4885TDP1 1481/4885MAPT 4867/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R KDM4E 4296/4885TDP1 1766/4885MAPT 4861/4885

“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.