SCHEMBL2646868

SCHEMBL2646868

Cc1ccc(Sc2cc(Oc3cccnc3)c3nc(-c4ccccn4)[nH]c3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 12/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
METAP2 P50579 5/20 0.39
METAP1 P53582 5/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
RUNX1 Q01196 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2644410 0.83 CBFB (0.47) CBFBSMN1; SMN2TP53HPGDMETAP2
SCHEMBL2645553 0.81 CBFB (0.55) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2644717 0.78 CBFB (0.49) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2644776 0.76 CBFB (0.57) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2645922 0.76 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2644100 0.75 CBFB (0.51) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2644647 0.74 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2644159 0.74 CBFB (0.49) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2645366 0.74 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL2644351 0.74 CBFB (0.52) CBFBSMN1; SMN2ALDH1A1TP53HPGD

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 1550/4885SMN1; SMN2 832/4885ALDH1A1 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.