SCHEMBL3044764

SCHEMBL3044764

Cc1nc(-c2ccn(CCCc3ccccc3)n2)sc1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.61
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL3046140 0.94 SCD (0.63) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3050354 0.90 SCD (0.60) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3047111 0.89 SCD (0.57) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3038846 0.88 SCD (0.56) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3041774 0.87 SCD (0.60) SCDNPC1HPGD
SCHEMBL3047564 0.86 SCD (0.56) SCDNPC1HPGD
SCHEMBL3045302 0.86 SCD (0.58) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3041781 0.85 SCD (0.55) SCD
SCHEMBL3042770 0.84 PPARA (0.52) SCD
SCHEMBL15484822 0.84 HDAC1 (0.49) SCDHDAC3HDAC4HDAC1HDAC7

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 11 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 claimed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US claimed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US claimed
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 claimed
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 claimed
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
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-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
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 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 (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 1/4885HDAC3 63/4885HDAC4 330/4885

“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.