SCHEMBL2645922

SCHEMBL2645922

Fc1ccc(Oc2cc(Oc3cccnc3)cc3[nH]c(-c4ccccn4)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 12/20 0.52
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
GRM5 P41594 2/20 0.44
GCK P35557 4/20 0.43
RUNX1 Q01196 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL2645553 0.93 CBFB (0.55) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2644100 0.91 CBFB (0.51) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2646501 0.91 CBFB (0.41) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2644351 0.90 CBFB (0.52) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2646787 0.89 CBFB (0.40) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2645836 0.89 CHEK2 (0.42) CBFBALDH1A1SMN1; SMN2GRM5
SCHEMBL2644776 0.87 CBFB (0.57) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2644647 0.87 CBFB (0.52) CBFBALDH1A1TP53CYP3A4CYP2D6
SCHEMBL2644929 0.85 CHEK2 (0.41) CBFBALDH1A1SMN1; SMN2
SCHEMBL2646329 0.85 CYP2E1 (0.38) CBFBCYP2C19GRM5GCK

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 1550/4885ALDH1A1 1188/4885TP53 4842/4885

“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.