SCHEMBL1968111

SCHEMBL1968111

Cn1c(Nc2c(Cl)cc(F)cc2Cl)nc2cc(C(=O)NC3CCC(C)(C)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.51
HPGD P15428 2/20 0.45
HDAC6 Q9UBN7 3/20 0.43
IDH1 O75874 4/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK14 Q16539 3/20 0.41
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL1974468 0.91 PTGES (0.57) PTGESHPGDHDAC6IDH1TP53
SCHEMBL3705491 0.90 PTGES (0.48) PTGESHPGDHDAC6IDH1TP53
SCHEMBL1972843 0.87 PTGES (0.57) PTGESHPGDHDAC6IDH1TP53
SCHEMBL1969251 0.86 PTGES (0.54) PTGES
SCHEMBL16318489 0.86 PTGES (0.54) PTGES
SCHEMBL1974764 0.84 PTGES (0.50) PTGESHPGDHDAC6TP53POLB
SCHEMBL16318485 0.83 PTGES (0.49) PTGESHPGDHDAC6TP53POLB
SCHEMBL13392918 0.81 PTGES (0.57) PTGESHPGDHDAC6TP53MAPK14
SCHEMBL16352184 0.80 TP53 (0.56) HPGDHDAC6TP53POLBMAPT
SCHEMBL1968497 0.80 TP53 (0.56) HPGDHDAC6TP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP 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-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
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 PTGES 118/4885HPGD 1009/4885HDAC6 177/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 PTGES 3823/4885HPGD 3409/4885HDAC6 2954/4885

“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.