SCHEMBL2645862

SCHEMBL2645862

O=Cc1ccccc1Oc1cc2nc(-c3ccccn3)[nH]c2cc1Oc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 11/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
PKM P14618 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.48
RUNX1 Q01196 2/20 0.46
METAP2 P50579 6/20 0.46
METAP1 P53582 5/20 0.46
GCK P35557 3/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2645464 0.89 NPC1 (0.60) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2644746 0.84 GCK (0.49) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2645647 0.83 GCK (0.51) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2646017 0.83 CHEK2 (0.48) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2647202 0.83 CBFB (0.58) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2645041 0.83 SMN1; SMN2 (0.49) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2646729 0.81 CBFB (0.47) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2647102 0.81 GCK (0.47) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2650150 0.81 NPC1 (0.46) CBFBNPC1RAB9APKMKDM4E
SCHEMBL2645586 0.80 GCK (0.59) CBFBNPC1RAB9ARUNX1GCK

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 1550/4885NPC1 748/4885RAB9A 4133/4885

“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.