SCHEMBL1972210

SCHEMBL1972210

Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
BTK Q06187 10/20 0.52
PTGS1 P23219 3/20 0.51
GRM5 P41594 1/20 0.51
BRAF P15056 1/20 0.47
SORT1 Q99523 1/20 0.46

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
SCHEMBL28953974 0.86 PTGS1 (0.67) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL28994215 0.84 BTK (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL28994232 0.82 BTK (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL17392022 0.82 DEGS1 (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL12859107 0.82 ABL1 (0.56) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL30050714 0.81 GRM5 (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16594252 0.81 GRM5 (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL28994195 0.81 GRM5 (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL26075655 0.81 NPC1 (0.60) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16604279 0.81 SORT1 (0.60) ALOX15TSHRCASP1NPSR1HSD17B10

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-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
CN-102224143-A 1h-benzimidazole-5-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2011-10-19 CN 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 ALOX15 3584/4885TSHR 3325/4885CASP1 265/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 ALOX15 2035/4885TSHR 1013/4885CASP1 625/4885

“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.