SCHEMBL2646482

SCHEMBL2646482

CN(C)C(=O)c1ccc(Oc2cc(Oc3ccccc3C(=O)N(C)C)c3nc(-c4ccccn4)[nH]c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.44
CBFB Q13951 7/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RUNX1 Q01196 1/20 0.41
DHODH Q02127 2/20 0.41
TGFBR1 P36897 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38

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
SCHEMBL2644784 0.95 GCK (0.43) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2646267 0.94 GCK (0.42) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2646993 0.92 GCK (0.41) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2645759 0.90 GCK (0.46) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2647362 0.89 CBFB (0.46) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2647266 0.88 GCK (0.42) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2646999 0.88 GCK (0.42) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2646182 0.88 CBFB (0.43) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2644315 0.88 DHODH (0.46) GCKCBFBALDH1A1HPGDSMN1; SMN2
SCHEMBL2644854 0.88 GCK (0.45) GCKCBFBALDH1A1HPGDSMN1; 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 GCK 1/4885CBFB 1550/4885ALDH1A1 1188/4885

“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.