SCHEMBL1966253

SCHEMBL1966253

O=C(O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.42
ALOX5 P09917 1/20 0.39
ABL1 P00519 2/20 0.39
HDAC11 Q96DB2 1/20 0.39
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1965840 0.90 PTGES (0.37) PTGESRAF1BRAFKDRPOLB
SCHEMBL1971110 0.90 PTGES (0.40) PTGESRAF1BRAFKDRPOLB
SCHEMBL1964833 0.88 PTGES (0.41) PTGESALOX5ABL1HDAC11
SCHEMBL16318443 0.87 PTGES (0.56) PTGESALOX5
SCHEMBL1968284 0.83 HDAC11 (0.52) PTGESABL1HDAC11POLB
SCHEMBL16318560 0.83 PTGES (0.58) PTGESPOLB
SCHEMBL16318558 0.83 PTGES (0.58) PTGESPOLB
SCHEMBL1964691 0.81 POLB (0.45) PTGESABL1HDAC11POLB
SCHEMBL1964863 0.80 HDAC11 (0.47) PTGESHDAC11POLB
SCHEMBL3701875 0.80 PTGES (0.54) PTGESALOX5RAF1BRAF

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-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
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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 PTGES 118/4885ALOX5 3175/4885ABL1 285/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 PTGES 3823/4885ALOX5 3301/4885ABL1 814/4885

“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.