SCHEMBL3979574

SCHEMBL3979574

COc1cccc(OCc2ncc[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MAOB P27338 7/20 0.53
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
APP P05067 1/20 0.49
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL8108136 0.81 TAAR1 (0.41) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL11779657 0.80 TAAR1 (0.56) SMN1; SMN2TP53NPC1RAB9AMAOB
SCHEMBL7509515 0.79 TAAR1 (0.45) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL3171172 0.77 TAAR1 (0.61) SMN1; SMN2HTTTAAR1MAPK1
SCHEMBL3155807 0.76 CHRM2 (0.52) SMN1; SMN2ALDH1A1LMNAHTTNPSR1
SCHEMBL3155811 0.76 TAAR1 (0.65) SMN1; SMN2LMNATAAR1TSHR
SCHEMBL3155805 0.75 TAAR1 (0.42) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL15063375 0.74 NPC1 (1.00) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL3155732 0.74 TAAR1 (0.67) SMN1; SMN2LMNATAAR1ALOX15TSHR
SCHEMBL16313542 0.73 NPC1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA

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-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 EP disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 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 (1 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 SMN1; SMN2 3411/4885ALDH1A1 421/4885TP53 4556/4885

“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.