SCHEMBL765176

SCHEMBL765176

O=C(NC1(C(=O)NCc2ccc(Oc3cccc(C(=O)N4CCCC4)c3)cc2)CC1)c1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.51
PARP10 Q53GL7 3/20 0.41
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
CCR8 P51685 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.39
PARP14 Q460N5 2/20 0.39
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR132 Q9UNW8 1/20 0.39
RAB9A P51151 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
SCHEMBL12239066 0.92 BDKRB1 (0.49) BDKRB1HTTLMNASMN1; SMN2GPR132
SCHEMBL765832 0.87 BDKRB1 (0.54) BDKRB1PARP10HTTPARP14LMNA
SCHEMBL12239071 0.85 BDKRB1 (0.53) BDKRB1PARP10HTTPARP14LMNA
SCHEMBL764497 0.84 BDKRB1 (0.57) BDKRB1MEN1KMT2AGAAHTT
SCHEMBL764413 0.84 BDKRB1 (0.64) BDKRB1HTTNAMPTLMNASMN1; SMN2
SCHEMBL10121225 0.84 BDKRB1 (0.58) BDKRB1HTTCYP2C9ALDH1A1LMNA
SCHEMBL10121359 0.84 BDKRB1 (0.55) BDKRB1HTTLMNASMN1; SMN2
SCHEMBL764432 0.79 BDKRB1 (0.61) BDKRB1HTTCYP2C9LMNASMN1; SMN2
SCHEMBL10121362 0.79 BDKRB1 (0.58) BDKRB1SMN1; SMN2
SCHEMBL765812 0.79 BDKRB1 (0.63) BDKRB1MEN1KMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
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
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
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 (2 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 1/4885PARP10 1540/4885NR1H2 1231/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 BDKRB1 1728/4885PARP10 449/4885NR1H2 1057/4885

“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.