SCHEMBL2646428

SCHEMBL2646428

CON(C)C(=O)[C@H]1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.49
GLI1 P08151 1/20 0.44
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
PRCP P42785 2/20 0.37
DPP4 P27487 5/20 0.37
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.35
FAP Q12884 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 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
SCHEMBL2089847 1.00 SCN4A (0.49) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL2089850 1.00 SCN4A (0.49) SCN4AGLI1NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL6863623 0.98 SCN4A (0.48) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL17923205 0.95 SCN4A (0.44) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL4471852 0.95 SCN4A (0.44) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL30345003 0.90 SCN4A (0.38) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL894617 0.80 GLI1 (0.66) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL255493 0.80 GLI1 (0.66) SCN4AGLI1NOS2NOS3NOS1
SCHEMBL490079 0.80 GLI1 (0.66) SCN4AGLI1NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL6387850 0.79 GLI1 (0.63) SCN4AGLI1NOS2NOS3NOS1

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 SCN4A 501/4885GLI1 1960/4885NOS2 1012/4885

“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.