SCHEMBL2644263

SCHEMBL2644263

COCC(=O)N1[CH]CCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 8/20 0.34
TSHR P16473 4/20 0.34
CYP2C19 P33261 2/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 7/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL2645771 0.94 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL2645886 0.81 ALDH1A1 (0.41) ALDH1A1MAPTKMT2A
SCHEMBL2646081 0.78
SCHEMBL2645234 0.77 SMN1; SMN2 (0.30)
SCHEMBL2646799 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL2645151 0.76 L3MBTL1 (0.42) ALDH1A1MAPTKMT2A
SCHEMBL2644810 0.75
SCHEMBL2645265 0.74 DPP4 (0.42) ALDH1A1
SCHEMBL360939 0.74
SCHEMBL18228197 0.74

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 ALDH1A1 1188/4885CYP1A2 2216/4885CYP3A4 1701/4885

“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.