SCHEMBL713081

SCHEMBL713081

[Na].[O-][S+](Cc1cc(OCC2OCC3(CC3)CO2)ccn1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 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
SCHEMBL10207873 0.99 CYP2C9 (0.39) CYP2C9
SCHEMBL713080 0.98 CYP2C9 (0.38) CYP2C9
SCHEMBL714673 0.89 NOS3 (0.37) CYP2C9
SCHEMBL710468 0.88 NOS3 (0.38) CYP2C9
SCHEMBL714672 0.87 NOS3 (0.37) CYP2C9
SCHEMBL9227422 0.85 CYP2C9 (0.52) CYP2C9
SCHEMBL930902 0.84 NOS3 (0.37) CYP2C9
SCHEMBL3381144 0.84 CYP2C9 (0.53) CYP2C9
SCHEMBL9226291 0.83 CYP2C9 (0.52) CYP2C9
SCHEMBL4364471 0.81 NOS1 (0.39) CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US 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 (3 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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 CYP2C9 1229/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 CYP2C9 1734/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 CYP2C9 1229/4885

“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.