SCHEMBL1972034

SCHEMBL1972034

Nc1cc(F)c(C(=O)Nc2cc(Cl)ccn2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
GRM5 P41594 2/20 0.46
KCNMA1 Q12791 1/20 0.44
PPARG P37231 1/20 0.43
SORT1 Q99523 1/20 0.43
CYP11B2 P19099 1/20 0.42
GCK P35557 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
FADS1 O60427 2/20 0.41
MET P08581 1/20 0.41
GSK3A P49840 1/20 0.41
MAPK10 P53779 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL16318434 0.86 ALDH1A1 (0.47) LOXL2GRM5KCNMA1GCKALDH1A1
SCHEMBL1966818 0.81 SMN1; SMN2 (0.64) KCNMA1SMN1; SMN2TDP1MAPTNPSR1
SCHEMBL1966153 0.77 TP53 (0.56) PPARGSMN1; SMN2TDP1MAPTNPC1
SCHEMBL10157199 0.74 BACE1 (0.56)
SCHEMBL890859 0.73 GCK (0.48) GRM5KCNMA1PPARGGCKSMN1; SMN2
SCHEMBL1437559 0.73 NR3C2 (0.54) GSK3AMAPK10RIOK2MAPTNPSR1
SCHEMBL30600561 0.71 SMN1; SMN2 (0.67) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4858997 0.71 SMN1; SMN2 (0.67) SORT1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL2762187 0.71 MAPT (0.55) GRM5SORT1SMN1; SMN2GSK3AMAPK10
SCHEMBL11483728 0.71 GRM4 (0.63) GRM5KCNMA1SMN1; SMN2GSK3AMAPK10

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 LOXL2 4451/4885GRM5 2421/4885KCNMA1 1590/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 LOXL2 1770/4885GRM5 3380/4885KCNMA1 2371/4885

“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.