SCHEMBL754261

SCHEMBL754261

C/C(=N\O)c1ccc(Oc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ FURIN P09958 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 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
SCHEMBL2545564 1.00 GAA (0.54) GAAKDM4EPPARGPPARAMAPT
SCHEMBL2813874 0.85 KDM4E (0.51) GAAKDM4EPPARGPPARAMAPT
SCHEMBL185918 0.85 KDM4E (0.51) GAAKDM4EPPARGPPARAMAPT
SCHEMBL2813873 0.85 KDM4E (0.51) GAAKDM4EPPARGPPARAMAPT
SCHEMBL753615 0.79 MAPT (0.70) GAAKDM4EPPARGPPARAMAPT
SCHEMBL8438349 0.78 FURIN (0.52) PPARGPPARAMAPTFURINGFER
SCHEMBL16255397 0.77 FURIN (0.50) MAPTFURINMEN1KMT2AHPGD
SCHEMBL11095832 0.75 ALOX15 (0.55) GAAKDM4EMAPTNPSR1ALOX15
SCHEMBL7252164 0.75 FURIN (0.49) PPARGPPARAMAPTFURINGFER
SCHEMBL7252160 0.75 FURIN (0.49) PPARGPPARAMAPTFURINGFER

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 5 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
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

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 GAA 4669/4885KDM4E 4017/4885PPARG 4193/4885

“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.

Send feedback