SCHEMBL764458

SCHEMBL764458

COc1ccccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.64
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
MAPK14 Q16539 4/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
F10 P00742 1/20 0.41
EZH2 Q15910 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK11 Q15759 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL765552 0.91 BDKRB1 (0.57) BDKRB1CARM1PRMT6MAPK14RAB9A
SCHEMBL764461 0.90 BDKRB1 (0.61) BDKRB1MAPK14EZH2CYP3A4LMNA
SCHEMBL12261990 0.89 BDKRB1 (0.58) BDKRB1LMNA
SCHEMBL10121331 0.89 BDKRB1 (0.60) BDKRB1CARM1PRMT6MAPK14CYP3A4
SCHEMBL765812 0.89 BDKRB1 (0.63) BDKRB1MAPK14MEN1KMT2ARAB9A
SCHEMBL10121232 0.89 BDKRB1 (0.57) BDKRB1MAPK14HDAC1HDAC6CYP3A4
SCHEMBL764485 0.89 BDKRB1 (0.61) BDKRB1CARM1PRMT6MAPK14CYP3A4
SCHEMBL765553 0.88 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4MAPK11LMNA
SCHEMBL764429 0.88 BDKRB1 (0.58) BDKRB1MAPK14CYP3A4LMNA
SCHEMBL765172 0.88 BDKRB1 (0.58) BDKRB1CARM1PRMT6MAPK14CYP3A4

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 1/4885CARM1 3858/4885PRMT6 1981/4885

“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.