SCHEMBL2645858

SCHEMBL2645858

CCS(=O)(=O)c1ccc(Oc2cc(N)c(N)cc2Oc2ccccc2C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SLC22A12 Q96S37 5/20 0.39
PIN1 Q13526 1/20 0.38
LRRK2 Q5S007 1/20 0.37
AR P10275 2/20 0.36
MAPK14 Q16539 4/20 0.36
SCN9A Q15858 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2644626 0.89 POLB (0.44) POLBGAASLC22A12PIN1LRRK2
SCHEMBL2646415 0.88 PPARG (0.38) POLBGAASLC22A12PIN1AR
SCHEMBL2645411 0.85 ALDH1A1 (0.34) SLC22A12ALDH1A1SMN1; SMN2
SCHEMBL2645796 0.84 MAPT (0.39) PIN1SMN1; SMN2
SCHEMBL2647146 0.80 BACE1 (0.34) SCN9ASMN1; SMN2
SCHEMBL2644698 0.80 NFE2L2 (0.36) POLBSCN9ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL2647005 0.80 EGLN1 (0.39) SLC22A12SCN9A
SCHEMBL2644525 0.79 PIN1 (0.48) POLBGAASLC22A12PIN1LRRK2
SCHEMBL3543717 0.79 GCK (0.51) LRRK2
SCHEMBL3550055 0.78 GCK (0.50) SLC22A12LRRK2MAPK14ALDH1A1SMN1; SMN2

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 POLB 3730/4885GAA 86/4885SLC22A12 856/4885

“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.