SCHEMBL2645643

SCHEMBL2645643

O=C1CCCN1c1ccc(O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
PARP1 P09874 2/20 0.48
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.40
ME2 P23368 2/20 0.39
ME1 P48163 2/20 0.39
ME3 Q16798 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL14910345 0.81 CNR2 (0.53) CNR2PARP1ALDH1A1KMT2AAR
SCHEMBL30470842 0.80 CNR2 (0.52) CNR2PARP1ALDH1A1KMT2AAR
SCHEMBL25669487 0.80 CNR2 (0.52) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL469807 0.80 CNR2 (0.52) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL46340 0.80 CNR2 (0.52) CNR2PARP1ALDH1A1KMT2AAR
SCHEMBL31202632 0.80 CNR2 (0.52) CNR2PARP1ALDH1A1KMT2AAR
SCHEMBL38010 0.80 CNR2 (0.52) CNR2PARP1ALDH1A1KMT2AAR
SCHEMBL3465646 0.78 CNR2 (0.51) CNR2PARP1ALDH1A1HPGDCYP1A2
SCHEMBL16753459 0.78 CNR2 (0.51) CNR2PARP1ALDH1A1KMT2AHPGD
SCHEMBL77785 0.77 CNR2 (0.49) CNR2PARP1ALDH1A1HPGDCCNC

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 CNR2 3065/4885PARP1 2024/4885ALDH1A1 1188/4885

“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.