SCHEMBL914199

SCHEMBL914199

CS(=O)(=O)c1ccc2nc(-c3cnc(-c4ccccc4)nc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.79
SCD O00767 10/20 0.75
CBFB Q13951 1/20 0.61
FADS1 O60427 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL14254530 0.88 NPBWR1 (1.00) NPBWR1SCDCBFBFADS1HDAC6
SCHEMBL913121 0.86 SCD (1.00) NPBWR1SCDFADS1HDAC6
SCHEMBL902357 0.80 SCD (0.67) NPBWR1SCDFADS1
SCHEMBL914082 0.79 NPBWR1 (0.76) NPBWR1SCDCBFBFADS1HDAC6
SCHEMBL913851 0.78 SCD (0.79) NPBWR1SCDFADS1
SCHEMBL12568424 0.78 NPBWR1 (0.79) NPBWR1SCDFADS1HDAC6
SCHEMBL914295 0.77 SCD (1.00) NPBWR1SCDFADS1
SCHEMBL915224 0.77 SCD (1.00) NPBWR1SCDFADS1
SCHEMBL913129 0.76 SCD (0.79) NPBWR1SCDFADS1
SCHEMBL913403 0.76 SCD (0.76) NPBWR1SCDFADS1

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 NPBWR1 3661/4885SCD 1/4885CBFB 918/4885

“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.