SCHEMBL2646724

SCHEMBL2646724

[O]c1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.66
IDO1 P14902 1/20 0.64
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.55
ADH5 P11766 1/20 0.53
CYP2A6 P11509 1/20 0.51
HPGDS O60760 1/20 0.50
XDH P47989 1/20 0.50
PFKFB3 Q16875 1/20 0.49
PFKFB4 Q16877 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RPA1 P27694 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL25378122 0.79 GP6 (1.00) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL2896088 0.78 IDO1 (1.00) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL21346024 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL4258013 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL3109571 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL1628598 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL4180199 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL12367 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL788085 0.78 GP6 (0.66) GP6IDO1ALDH1A1MAPTADH5
SCHEMBL13733284 0.77 GP6 (0.60) GP6IDO1ALDH1A1MAPTADH5

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 GP6 3011/4885IDO1 2996/4885ALDH1A1 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.