SCHEMBL2645837

SCHEMBL2645837

[O]c1ccccc1-c1noc(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
FTO Q9C0B1 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARB P10826 1/20 0.38
ADH5 P11766 1/20 0.37
DHODH Q02127 1/20 0.36
KMO O15229 1/20 0.36
PARP1 P09874 1/20 0.36
GRIK1 P39086 1/20 0.36

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
SCHEMBL21034046 0.80 LTB4R2 (0.51) ALDH1A1FTOLTB4R2
SCHEMBL15479756 0.80 DHODH (0.48) ALDH1A1FTOL3MBTL1DHODHPARP1
SCHEMBL10104417 0.80 NOTUM (0.47) ALDH1A1FTOLTB4R2HPGDNPSR1
SCHEMBL6530898 0.80 ALDH1A1 (0.45) ALDH1A1FTOLTB4R2MAPTHPGD
SCHEMBL2645840 0.80 KDM4E (0.47) ALDH1A1FTOLTB4R2MAPTHPGD
SCHEMBL31546405 0.80 NOTUM (0.47) ALDH1A1FTOLTB4R2HPGDNPSR1
SCHEMBL31546406 0.80 FTO (0.49) ALDH1A1FTOHPGDKMOGRIK1
SCHEMBL21634961 0.80 ALDH1A1 (0.42) ALDH1A1FTOLTB4R2MAPTHPGD
SCHEMBL23869502 0.80 ALDH1A1 (0.43) ALDH1A1FTOLTB4R2MAPTHPGD
SCHEMBL31546460 0.76 FGFR1 (0.47) ALDH1A1L3MBTL1

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 1188/4885FTO 1856/4885LTB4R2 4359/4885

“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.