SCHEMBL2909734

SCHEMBL2909734

O=C(O)c1cc(O)c2ccc(Br)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.44
▸ IGFBP5 P24593 5/20 0.43
▸ IGFBP3 P17936 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL9039085 0.88 ALDH1A1 (0.48) MCL1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL9398470 0.85 GRM2 (0.50) ALDH1A1KDM4ERXFP1
SCHEMBL12571905 0.83 MEN1 (0.50) MCL1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL30120646 0.83 MEN1 (0.50) MCL1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2905794 0.83 IGFBP5 (0.46) IGFBP5IGFBP3ALDH1A1KDM4EALOX15
SCHEMBL9441961 0.82 MCL1 (0.43) MCL1IGFBP5IGFBP3ALDH1A1KDM4E
SCHEMBL2906714 0.81 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL2902980 0.81 ALOX15 (0.47) IGFBP5IGFBP3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9398468 0.80 IGFBP5 (0.43) IGFBP5IGFBP3KDM4EALOX15
SCHEMBL2909106 0.80 IGFBP5 (0.45) IGFBP5IGFBP3ALDH1A1KDM4EDHODH

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
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
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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
US-5344922-A 4-hydroxyquinaldic acid derivatives BOARD OF REGENTS, UNIVERSITY OF TEXAS 1994-09-06 — — US disclosed
US-5028707-A 4-hydroxyquinaldic acid derivatives BOARD OF REGENTS, UNIVERSITY OF TEXAS (US) 1991-07-02 — — US disclosed
WO-1991007390-A1 4-HYDROXYQUINALDIC ACID DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-05-30 — — 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 (5 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 MCL1 1860/4885IGFBP5 4143/4885IGFBP3 4170/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MCL1 2253/4885IGFBP5 3445/4885IGFBP3 3464/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 MCL1 1454/4885IGFBP5 4245/4885IGFBP3 3914/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B MCL1 1734/4885IGFBP5 3553/4885IGFBP3 3531/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R MCL1 2270/4885IGFBP5 3455/4885IGFBP3 3490/4885

“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.

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