SCHEMBL755015

SCHEMBL755015

COc1ccc(Oc2ccc(/C(C)=N/O)cc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRAF P15056 1/20 0.42
EPHX2 P34913 5/20 0.41
MAPK1 P28482 1/20 0.40
SCN9A Q15858 1/20 0.39
GAA P10253 1/20 0.38
AR P10275 4/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2545560 1.00 MAPT (0.43) MAPTKDM4ERAB9AL3MBTL1BRAF
SCHEMBL757901 0.83 KMT2A (0.51) MAPTKDM4ERAB9AL3MBTL1EPHX2
SCHEMBL3719051 0.82 MAPT (0.37) MAPTRAB9AL3MBTL1EPHX2GAA
SCHEMBL3719954 0.81 MAPT (0.36) MAPTRAB9AL3MBTL1EPHX2GAA
SCHEMBL17133931 0.80 MAPT (0.43) MAPTKDM4ERAB9AGAASMN1; SMN2
SCHEMBL17146174 0.80 MAPT (0.43) MAPTKDM4ERAB9AGAASMN1; SMN2
SCHEMBL17133930 0.80 MAPT (0.43) MAPTKDM4ERAB9AGAASMN1; SMN2
SCHEMBL3649917 0.80 PARP10 (0.58) MAPTKDM4ERAB9AL3MBTL1EPHX2
SCHEMBL2786289 0.78 AR (0.53) MAPTKDM4ERAB9AL3MBTL1MAPK1
SCHEMBL8116738 0.76 L3MBTL1 (0.47) MAPTKDM4ERAB9AL3MBTL1EPHX2

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 MAPT 3258/4885KDM4E 4017/4885RAB9A 2107/4885

“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.