SCHEMBL2646415

SCHEMBL2646415

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)c(Oc3ccccc3C#N)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SLC22A12 Q96S37 8/20 0.37
GCK P35557 1/20 0.36
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 2/20 0.34
PIN1 Q13526 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL2647119 0.90 POLB (0.38) PPARGPOLBGAASLC22A12CYP19A1
SCHEMBL2645858 0.88 POLB (0.42) POLBGAASLC22A12SCN9APIN1
SCHEMBL2645240 0.85 NFE2L2 (0.36) GCKSCN9A
SCHEMBL2645233 0.82 GCK (0.36) GCK
SCHEMBL2644801 0.82 GCK (0.39) GCK
SCHEMBL2643976 0.81 EGLN1 (0.35) PPARGSLC22A12GCKSCN9A
SCHEMBL2645572 0.80 CACNA1C (0.36) SLC22A12GCKSCN9A
SCHEMBL2644063 0.79 GCK (0.36) GCK
SCHEMBL2644626 0.77 POLB (0.44) POLBGAASLC22A12CYP19A1SCN9A
SCHEMBL3545561 0.77 GCK (0.40) SLC22A12GCKCYP19A1SCN9A

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 PPARG 189/4885POLB 3730/4885GAA 86/4885

“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.