SCHEMBL764474

SCHEMBL764474

O=C(NC1(C(=O)NCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1)c1cncnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.54
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
MAPK14 Q16539 5/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
CYP3A4 P08684 3/20 0.37
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
PTGER4 P35408 1/20 0.36
MMP13 P45452 1/20 0.35

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
SCHEMBL765538 0.92 BDKRB1 (0.58) BDKRB1CARM1PRMT6MAPK14MEN1
SCHEMBL765552 0.91 BDKRB1 (0.57) BDKRB1CARM1PRMT6MAPK14HTT
SCHEMBL765831 0.85 BDKRB1 (0.51) BDKRB1MAPK14CNR1CYP3A4PTGER4
SCHEMBL10121332 0.85 BDKRB1 (0.53) BDKRB1MAPK14MEN1KMT2ATDP1
SCHEMBL764441 0.85 BDKRB1 (0.58) BDKRB1MAPK14MEN1KMT2ALMNA
SCHEMBL765647 0.85 BDKRB1 (0.52) BDKRB1MAPK14MEN1KMT2ATDP1
SCHEMBL765617 0.85 BDKRB1 (0.52) BDKRB1MAPK14LMNAHTTALDH1A1
SCHEMBL765172 0.85 BDKRB1 (0.58) BDKRB1CARM1PRMT6MAPK14LMNA
SCHEMBL764429 0.85 BDKRB1 (0.58) BDKRB1MAPK14LMNAHTTCNR1
SCHEMBL764461 0.85 BDKRB1 (0.61) BDKRB1MAPK14LMNAHTTHPGD

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 4 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
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
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.