SCHEMBL755049

SCHEMBL755049

NCc1ccc(Oc2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 14/20 0.73
PARP15 Q460N3 4/20 0.73
PARP14 Q460N5 2/20 0.73
PARP4 Q9UKK3 2/20 0.73
ALDH1A1 P00352 1/20 0.73
KMT2A Q03164 1/20 0.73
PARP16 Q8N5Y8 1/20 0.73
PARP11 Q9NR21 1/20 0.73
ST14 Q9Y5Y6 4/20 0.62
PARP2 Q9UGN5 3/20 0.61
TNKS O95271 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
PARP3 Q9Y6F1 1/20 0.58
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52

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
Terephthalamide SCHEMBL3444098 0.88 LOXL2 (0.60) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL509167 0.88 LOXL2 (0.60) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL31474725 0.86 LOXL2 (0.58) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL3948480 0.86 LOXL2 (0.58) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3137816 0.85 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL26116709 0.85 SRD5A2 (0.66) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL12238994 0.84 PARP10 (0.76) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL21628385 0.83 PARP10 (0.70) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3789265 0.83 ST14 (0.83) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL4209153 0.81 ST14 (0.85) ST14LOXL2MAOB

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 10 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
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
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO 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 PARP10 1540/4885PARP15 1732/4885PARP14 1825/4885

“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.