SCHEMBL2644975

SCHEMBL2644975

Cn1cccc(Oc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc3[nH]c(-c4ccccn4)nc23)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 3/20 0.46
GCK P35557 14/20 0.45
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SCD O00767 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RUNX1 Q01196 1/20 0.39

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
SCHEMBL2645422 0.92 GCK (0.53) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2644806 0.91 GCK (0.47) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2645696 0.91 GCK (0.42) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2645818 0.90 GCK (0.44) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2644808 0.90 GCK (0.47) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2645214 0.87 CBFB (0.54) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2645782 0.86 GCK (0.57) CBFBGCKSCD
SCHEMBL2645485 0.85 CBFB (0.50) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2646399 0.85 GCK (0.43) CBFBGCKALDH1A1TP53CYP3A4
SCHEMBL2646644 0.85 CBFB (0.47) CBFBGCKALDH1A1TP53CYP3A4

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 CBFB 1550/4885GCK 1/4885ALDH1A1 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.