SCHEMBL1302852

SCHEMBL1302852

N#Cc1ncc(N(Br)C(=O)O)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BCAT1 P54687 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL1303430 0.80 SYK (0.36) KDM4EALDH1A1POLB
SCHEMBL21914981 0.77 ALDH1A1 (0.41) KDM4EALDH1A1POLBBCAT1GAA
SCHEMBL24608334 0.72 HCAR2 (0.43) KDM4EALDH1A1POLBBCAT1
SCHEMBL19814227 0.69 AR (0.42) KDM4EALDH1A1POLBBCAT1
SCHEMBL21811571 0.69 KDM4E (0.37) KDM4EALDH1A1POLB
SCHEMBL29584921 0.68 ALDH1A1 (0.39) KDM4EALDH1A1POLBBCAT1
SCHEMBL14303299 0.68 POLB (0.39) KDM4EALDH1A1POLBBCAT1
SCHEMBL24423786 0.68 ALDH1A1 (0.39) KDM4EALDH1A1POLBBCAT1
SCHEMBL1630093 0.68 ALDH1A1 (0.44) KDM4EALDH1A1POLBBCAT1GAA
SCHEMBL360864 0.68 ALDH1A1 (0.44) KDM4EALDH1A1POLBBCAT1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299110-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIa inhibitors PHARMACYCLICS, INC. (US) 2012-10-30 US disclosed
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS, INC. (US) 2011-11-03 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-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 KDM4E 561/4885ALDH1A1 2997/4885POLB 2852/4885

“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.