SCHEMBL2646433

SCHEMBL2646433

CONC(=O)[C@H]1CCCN1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.34
GABRR1 P24046 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 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
SCHEMBL8111091 1.00 CYP3A4 (0.49) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL15745586 0.81 CYP3A4 (0.51) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL15626080 0.81 CYP3A4 (0.51) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL14289638 0.81 CYP3A4 (0.51) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL172515 0.79 CYP3A4 (0.53) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL2275226 0.79 POLB (0.49) CYP3A4CYP2D6POLBSMN1; SMN2
SCHEMBL490080 0.79 CYP3A4 (0.53) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL26999844 0.79 CYP3A4 (0.53) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL2651732 0.79 POLB (0.49) CYP3A4CYP2D6POLBSMN1; SMN2
SCHEMBL9020148 0.79 CYP3A4 (0.53) CYP3A4CYP2D6WNT1GSK3BDYRK1A

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 CYP3A4 1701/4885CYP2D6 1491/4885WNT1 2850/4885

“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.