SCHEMBL914577

SCHEMBL914577

CS(=O)(=O)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 1.00
NPBWR1 P48145 1/20 0.73
FADS1 O60427 1/20 0.61

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
SCHEMBL913121 0.87 SCD (1.00) SCDNPBWR1FADS1
SCHEMBL913129 0.87 SCD (0.79) SCDNPBWR1FADS1
SCHEMBL914295 0.86 SCD (1.00) SCDNPBWR1FADS1
SCHEMBL915376 0.86 SCD (1.00) SCDNPBWR1FADS1
SCHEMBL14254530 0.85 NPBWR1 (1.00) SCDNPBWR1FADS1
SCHEMBL913851 0.82 SCD (0.79) SCDNPBWR1FADS1
SCHEMBL913003 0.81 SCD (1.00) SCDNPBWR1FADS1
SCHEMBL914575 0.81 SCD (0.80) SCDNPBWR1FADS1
SCHEMBL913403 0.80 SCD (0.76) SCDNPBWR1FADS1
SCHEMBL15245084 0.79 SCD (0.65) SCDNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279177-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2011-02-02 EP disclosed
US-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-01-27 US disclosed
US-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-01-27 US disclosed
WO-2009129625-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-10-29 WO disclosed
WO-2009129625-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-10-29 WO 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-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN SCD 1/4885NPBWR1 3661/4885FADS1 9/4885

“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.