SCHEMBL3132437

SCHEMBL3132437

Cc1ccc(Cl)c(Nc2nc3cc(C(=O)O)ccc3[nH]2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 5/20 0.46
POLB P06746 1/20 0.46
AKR1C3 P42330 2/20 0.45
PTGS2 P35354 6/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1B10 O60218 1/20 0.44
ABCB11 O95342 1/20 0.44
TTR P02766 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
FABP2 P12104 1/20 0.44
RXRA P19793 1/20 0.44
TBXA2R P21731 1/20 0.44
NR4A1 P22736 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
NR4A2 P43354 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL16318709 0.86 AKR1C3 (0.50) POLBAKR1C3PTGS2TDP1HSP90AA1
SCHEMBL1964392 0.84 AKR1C3 (0.55) POLBAKR1C3MEN1KMT2AGAA
SCHEMBL1971285 0.83 PTGES (0.48) MEN1KMT2ALMNAMAPT
SCHEMBL3120881 0.82 POLB (0.54) POLBAKR1C3MEN1KMT2ATDP1
SCHEMBL1965111 0.82 AKR1C3 (0.55) POLBAKR1C3MEN1KMT2ATDP1
SCHEMBL1967311 0.80 AKR1C3 (0.50) POLBAKR1C3
SCHEMBL3264876 0.79 POLB (0.51) POLBAKR1C3MEN1KMT2AALDH1A1
SCHEMBL1968399 0.78 POLB (0.58) POLBAKR1C3MEN1KMT2AMAPT
SCHEMBL3128528 0.77 AKR1C3 (0.52) POLBAKR1C3MEN1KMT2ALMNA
SCHEMBL1966454 0.76 AKR1C3 (0.54) POLBAKR1C3GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (2 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 CLCN2 3174/4885POLB 3740/4885AKR1C3 1724/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 CLCN2 793/4885POLB 2321/4885AKR1C3 162/4885

“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.