SCHEMBL2644100

SCHEMBL2644100

Fc1cccc(Oc2cc(Oc3cccnc3)cc3[nH]c(-c4ccccn4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.51
GRM5 P41594 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GCK P35557 1/20 0.44
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
RUNX1 Q01196 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL2645553 0.92 CBFB (0.55) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2645922 0.91 CBFB (0.52) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2644351 0.87 CBFB (0.52) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2644776 0.84 CBFB (0.57) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2644647 0.84 CBFB (0.52) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2646501 0.82 CBFB (0.41) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2645549 0.81 CYP19A1 (0.47) CBFBSMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL2646115 0.81 CBFB (0.47) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2646787 0.81 CBFB (0.40) CBFBGRM5SMN1; SMN2ALDH1A1TP53
SCHEMBL2645366 0.80 CBFB (0.52) CBFBGRM5SMN1; SMN2ALDH1A1TP53

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 1550/4885GRM5 1435/4885SMN1; SMN2 832/4885

“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.