SCHEMBL3701875

SCHEMBL3701875

O=C(Nc1ccc(Br)cc1)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cc1OCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.54
ALOX5 P09917 1/20 0.40
ENPP1 P22413 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 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
SCHEMBL16318443 0.93 PTGES (0.56) PTGESALOX5
SCHEMBL16318674 0.93 PTGES (0.53) PTGESALOX5MEN1MAPTKMT2A
SCHEMBL16318423 0.90 PTGES (0.56) PTGESALOX5RAF1BRAF
SCHEMBL3702752 0.89 PTGES (0.53) PTGESALOX5MEN1MAPTKMT2A
SCHEMBL6124850 0.89 PTGES (0.54) PTGESMEN1MAPTKMT2ARAF1
SCHEMBL16318566 0.89 PTGES (0.55) PTGESALOX5MEN1MAPTKMT2A
SCHEMBL16318390 0.89 PTGES (0.53) PTGESALOX5MEN1MAPTKMT2A
SCHEMBL3703238 0.87 PTGES (0.53) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL1971110 0.87 PTGES (0.40) PTGESENPP1PDE4APDE4BPDE4C
SCHEMBL6124858 0.86 PTGES (0.51) PTGESMEN1MAPTKMT2APDE4A

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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US claimed
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, MAP4 PTGES 179/4885ALOX5 3006/4885ENPP1 2636/4885

“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.