SCHEMBL2902589

SCHEMBL2902589

COC(=O)c1cc(O)c2ccc([N+](=O)[O-])cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
ELANE P08246 4/20 0.43
F2 P00734 3/20 0.43
PLAU P00749 3/20 0.43
CTRB1 P17538 3/20 0.43
KLKB1 P03952 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PAX8 Q06710 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
IGFBP3 P17936 1/20 0.40
LMNA P02545 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
SCHEMBL2906892 0.91 ALDH1A1 (0.60) ALDH1A1ELANEF2PLAUCTRB1
SCHEMBL282160 0.83 ALDH1A1 (0.59) ALDH1A1ELANEPOLBMAPTGAA
SCHEMBL30663244 0.82 ALDH1A1 (0.54) ALDH1A1ELANEF2PLAUCTRB1
SCHEMBL2908924 0.81 KDM4E (0.49) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL2907089 0.80 GRM2 (0.46) ALDH1A1KMT2AMAPTNPC1KDM4E
SCHEMBL5990759 0.79 ALDH1A1 (0.58) ALDH1A1ELANEF2PLAUCTRB1
SCHEMBL5214685 0.79 ALDH1A1 (0.58) ALDH1A1ELANEF2PLAUCTRB1
SCHEMBL2904899 0.79 EGFR (0.46) KMT2ALCK
SCHEMBL562343 0.79 BACE1 (0.47) ALDH1A1MAPTNPSR1KDM4EGAA
SCHEMBL2906714 0.79 L3MBTL1 (0.47) ALDH1A1KMT2AMAPTGAAHTT

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 13 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
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-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US 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 ALDH1A1 1457/4885ELANE 1316/4885F2 73/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885ELANE 2054/4885F2 57/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885ELANE 2054/4885F2 57/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 ALDH1A1 817/4885ELANE 1321/4885F2 132/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B ALDH1A1 585/4885ELANE 2287/4885F2 114/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R ALDH1A1 705/4885ELANE 2049/4885F2 65/4885

“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.