SCHEMBL1965840

SCHEMBL1965840

O=C(O)c1cc2nc(Nc3c(Cl)cc(F)cc3Cl)[nH]c2cc1OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.37
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
POLB P06746 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PYGL P06737 1/20 0.35
IDH1 O75874 1/20 0.34
PRCP P42785 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSNK1E P49674 2/20 0.34
ENPP1 P22413 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL1971110 0.90 PTGES (0.40) PTGESRAF1BRAFKDRPOLB
SCHEMBL1966253 0.90 PTGES (0.42) PTGESRAF1BRAFKDRPOLB
SCHEMBL1967873 0.88 PTGES (0.36) PTGESRAF1BRAFKDRMAPT
SCHEMBL1966476 0.87 PTGES (0.36) PTGESPOLBKDM4CCSNK1E
SCHEMBL16318674 0.86 PTGES (0.53) PTGESRAF1BRAFMEN1MAPT
SCHEMBL3126678 0.83 PTGES (0.55) PTGESPOLB
SCHEMBL3126686 0.83 PTGES (0.55) PTGESPOLB
SCHEMBL13393204 0.82 PTGES (0.44) PTGESRAF1BRAFKDRMEN1
SCHEMBL3126918 0.82 PTGES (0.38) PTGESRAF1BRAFKDRCSNK1E
SCHEMBL1974133 0.80 PTGES (0.40) PTGES

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 118/4885RAF1 1241/4885BRAF 912/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 PTGES 3823/4885RAF1 2306/4885BRAF 3826/4885

“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.