SCHEMBL764485

SCHEMBL764485

NC(=O)c1ccccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.61
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK14 Q16539 7/20 0.42
MAPK11 Q15759 1/20 0.42
CTNNB1 P35222 1/20 0.42
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CYP3A4 P08684 2/20 0.39
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
LMNA P02545 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12239067 0.93 BDKRB1 (0.60) BDKRB1HTTHPGDALDH1A1GAA
SCHEMBL764458 0.89 BDKRB1 (0.64) BDKRB1MAPK14MAPK11CARM1PRMT6
SCHEMBL765172 0.89 BDKRB1 (0.58) BDKRB1HTTHPGDALDH1A1GAA
SCHEMBL764497 0.87 BDKRB1 (0.57) BDKRB1HTTHPGDALDH1A1GAA
SCHEMBL764429 0.87 BDKRB1 (0.58) BDKRB1HTTMAPK14CYP3A4PTGER4
SCHEMBL764461 0.87 BDKRB1 (0.61) BDKRB1HTTHPGDMAPK14CYP3A4
SCHEMBL765553 0.87 BDKRB1 (0.58) BDKRB1HTTHPGDALDH1A1GAA
SCHEMBL765538 0.87 BDKRB1 (0.58) BDKRB1HTTHPGDALDH1A1GAA
SCHEMBL764455 0.86 BDKRB1 (0.57) BDKRB1HTTHPGDALDH1A1MAPK14
SCHEMBL764413 0.86 BDKRB1 (0.64) BDKRB1HTTHPGDMAPK14MAPK11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 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 (1 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885HTT 3606/4885HPGD 587/4885

“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.