SCHEMBL2910077

SCHEMBL2910077

Cc1cccc2nc(C(=O)O)cc(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
ALOX15 P16050 3/20 0.45
MAPT P10636 5/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
MGAM O43451 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PARP1 P09874 1/20 0.41
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
HSD17B10 Q99714 2/20 0.41
IGFBP3 P17936 1/20 0.40
IGFBP5 P24593 1/20 0.40

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
SCHEMBL2908140 0.85 KDM4E (0.46) ALOX15MAPTGAAHPGDLMNA
SCHEMBL16832647 0.84 ALOX15 (0.45) DHODHALOX15HPGDLMNAHTT
SCHEMBL2907070 0.83 MAPT (0.52) MAPTGAAHPGDLMNAHTT
SCHEMBL2909169 0.81 GAA (0.42) DHODHALOX15GAAHPGDLMNA
SCHEMBL3328574 0.81 CYP1A2 (0.54) MAPTGAAHTTKDM4ETDP1
SCHEMBL3328166 0.81 MGAM (0.42) ALOX15HPGDKDM4ETDP1KMT2A
SCHEMBL2910010 0.81 MGAM (0.42) ALOX15GAAHPGDLMNAKDM4E
SCHEMBL7524860 0.81 KDM4E (0.44) DHODHALOX15HPGDKDM4ETDP1
SCHEMBL3333058 0.79 IGFBP3 (0.47) DHODHALOX15MAPTKDM4ETDP1
SCHEMBL2908782 0.78 IGFBP5 (0.37) ALOX15MAPTKDM4ETDP1MGAM

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 17 patents. 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
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
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO 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-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
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 DHODH 1236/4885ALOX15 1093/4885MAPT 4866/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R DHODH 1143/4885ALOX15 789/4885MAPT 4857/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R DHODH 1143/4885ALOX15 789/4885MAPT 4857/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 DHODH 1247/4885ALOX15 1084/4885MAPT 4869/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B DHODH 1188/4885ALOX15 763/4885MAPT 4867/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R DHODH 1232/4885ALOX15 861/4885MAPT 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.