SCHEMBL765845

SCHEMBL765845

N#Cc1ccccc1Oc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.58
CYP3A4 P08684 2/20 0.58
BDKRB1 P46663 4/20 0.56
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
EZH2 Q15910 1/20 0.42
CTSL P07711 2/20 0.40
CTSK P43235 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MMP13 P45452 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UCHL1 P09936 1/20 0.36

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
SCHEMBL764449 0.89 BDKRB1 (0.49) MAPK14CYP3A4BDKRB1
SCHEMBL765656 0.88 BDKRB1 (0.49) MAPK14CYP3A4BDKRB1CTSLCTSK
SCHEMBL765846 0.88 BDKRB1 (0.49) MAPK14CYP3A4BDKRB1CTSLCTSK
SCHEMBL765805 0.88 BDKRB1 (0.49) MAPK14CYP3A4BDKRB1CTSLCTSK
SCHEMBL764428 0.88 BDKRB1 (0.51) MAPK14CYP3A4BDKRB1CTSLHTT
SCHEMBL764480 0.88 BDKRB1 (0.53) MAPK14CYP3A4BDKRB1
SCHEMBL764429 0.86 BDKRB1 (0.58) MAPK14CYP3A4BDKRB1LPAR1LPAR5
SCHEMBL765553 0.86 BDKRB1 (0.58) MAPK14CYP3A4BDKRB1ALDH1A1GAA
SCHEMBL765172 0.86 BDKRB1 (0.58) MAPK14CYP3A4BDKRB1ALDH1A1GAA
SCHEMBL764461 0.86 BDKRB1 (0.61) MAPK14CYP3A4BDKRB1LPAR1LPAR5

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 3 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

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 MAPK14 1751/4885CYP3A4 1580/4885BDKRB1 1/4885

“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.