SCHEMBL2645178

SCHEMBL2645178

COc1ccc(Oc2cc(Sc3ccccn3)c3nc(-c4ccccn4)[nH]c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
RUNX1 Q01196 2/20 0.55
CBFB Q13951 15/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
GCK P35557 1/20 0.41
NPY5R Q15761 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
SCHEMBL2647458 0.85 GCK (0.42) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL2644444 0.85 NPC1 (0.49) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL2647096 0.84 GCK (0.44) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL2645683 0.82 CBFB (0.43) NPC1RAB9ARUNX1CBFBGCK
SCHEMBL2645420 0.76 CBFB (0.37) NPC1RAB9ARUNX1CBFBCYP3A4
SCHEMBL2645245 0.72 CBFB (0.63) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL2646299 0.72 GCK (0.39) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL10351275 0.71 NPC1 (1.00) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL2645214 0.71 CBFB (0.54) NPC1RAB9ARUNX1CBFBSMN1; SMN2
SCHEMBL179095 0.69 NPC1 (0.80) NPC1RAB9ARUNX1CBFBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 NPC1 748/4885RAB9A 4133/4885RUNX1 3484/4885

“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.