SCHEMBL2646013

SCHEMBL2646013

O=c1[nH]c(-c2ccc(O)cc2)no1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
RARB P10826 2/20 0.53
XDH P47989 2/20 0.52
SLC22A12 Q96S37 1/20 0.52
ADH5 P11766 1/20 0.51
PARP1 P09874 2/20 0.49
ALOX5 P09917 1/20 0.46
RARG P13631 1/20 0.45
PLA2G2A P14555 4/20 0.44
KMO O15229 1/20 0.43
RARA P10276 1/20 0.43
TNKS O95271 1/20 0.42
GUSB P08236 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL750501 0.81 ALDH1A1 (0.57) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL16645310 0.81 ALDH1A1 (0.57) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL15059787 0.81 ALDH1A1 (0.57) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL22273714 0.81 ALOX5 (0.63) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL18603158 0.81 ALDH1A1 (0.57) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL4909745 0.80 ALDH1A1 (0.53) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL3743779 0.80 ALDH1A1 (0.56) ALDH1A1RARBXDHSLC22A12ADH5
Hydrochloric Acid SCHEMBL12803102 0.79 ALDH1A1 (0.55) ALDH1A1RARBXDHSLC22A12ADH5
SCHEMBL2645921 0.79 PARP1 (0.45) ALDH1A1RARBXDHSLC22A12PARP1
SCHEMBL750500 0.79 PARP1 (0.58) ALDH1A1RARBXDHSLC22A12ADH5

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 1188/4885RARB 2755/4885XDH 112/4885

“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.