SCHEMBL3045493

SCHEMBL3045493

Cc1nc(-c2cncc(I)n2)sc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.62
PPARA Q07869 7/20 0.55
MAPT P10636 2/20 0.48
CHRM4 P08173 1/20 0.46
PPARD Q03181 2/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL3040459 0.89 SCD (0.77) SCDPPARAMAPTCHRM4PPARD
SCHEMBL3044261 0.86 SCD (0.68) SCDPPARAMAPTCHRM4PPARD
SCHEMBL3041775 0.83 SCD (0.57) SCDPPARAMAPTCHRM4PPARD
SCHEMBL3041776 0.83 SCD (0.57) SCDPPARAMAPTCHRM4PPARD
SCHEMBL3044135 0.83 SCD (0.57) SCDPPARAMAPTCHRM4PPARD
SCHEMBL3035795 0.83 SCD (0.65) SCDPPARAMAPTPPARDLMNA
SCHEMBL3047634 0.82 SCD (0.75) SCDPPARAMAPTPPARDLMNA
SCHEMBL3045494 0.81 SMN1; SMN2 (0.43) SCDPPARAMAPT
SCHEMBL3044560 0.80 SCD (0.64) SCDPPARAMAPTPPARDLMNA
SCHEMBL15484693 0.80 SCD (0.64) SCDPPARAMAPTPPARDLMNA

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-2086970-B1 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2086970-A2 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008024390-A2 2- (PYRAZIN-2-YL) -THIAZOLE AND 2- (1H-PYRAZ0L-3-YL) -THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2008-02-28 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-20100239520-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885PPARA 51/4885MAPT 2947/4885

“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.