SCHEMBL2645918

SCHEMBL2645918

[O]c1cccc(-c2noc(=O)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KMO O15229 1/20 0.43
PARP1 P09874 1/20 0.43
RARB P10826 2/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
ADH5 P11766 1/20 0.41
RARG P13631 1/20 0.39

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
SCHEMBL18603181 0.81 NOTUM (0.50) ALDH1A1KMOPDE5APDE1APDE1B
SCHEMBL15059204 0.81 GRIK1 (0.46) ALDH1A1PARP1RARBPDE5APDE1A
SCHEMBL4504146 0.81 ALDH1A1 (0.46) ALDH1A1PARP1RARBPDE5APDE1A
SCHEMBL10187496 0.81 ALDH1A1 (0.44) ALDH1A1KMOPARP1RARBPDE5A
SCHEMBL2645921 0.81 PARP1 (0.45) ALDH1A1PARP1RARBPDE5APDE1A
SCHEMBL18603164 0.81 NOTUM (0.50) ALDH1A1PARP1RARBPDE5APDE1A
SCHEMBL8295573 0.81 NOTUM (0.50) ALDH1A1RARBPDE5APDE1APDE1B
Hydrochloric Acid SCHEMBL4512162 0.80 ALDH1A1 (0.45) ALDH1A1PARP1RARBPDE5APDE1A
SCHEMBL3743779 0.80 ALDH1A1 (0.56) ALDH1A1PARP1RARBADH5RARG
SCHEMBL481019 0.79 BRD4 (0.49) ALDH1A1KMOPARP1RARBPDE5A

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 1188/4885KMO 1458/4885PARP1 2024/4885

“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.