SCHEMBL348024

SCHEMBL348024

Cc1nc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)sc1C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.75
HDAC1 Q13547 1/20 0.41
TYMS P04818 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL246011 0.91 SCD (0.62) SCDHDAC1PPARDPPARAGRM2
SCHEMBL245153 0.90 SCD (0.60) SCDHDAC1ALDH1A1
SCHEMBL347271 0.89 SCD (0.79) SCDHDAC1ALDH1A1
SCHEMBL347630 0.87 SCD (0.79) SCDHDAC1ALDH1A1
SCHEMBL245130 0.87 SCD (0.62) SCDHDAC1PPARDPPARA
SCHEMBL347927 0.86 SCD (0.69) SCDGRM2
SCHEMBL242657 0.86 SCD (1.00) SCDHDAC1GRM2
SCHEMBL245933 0.85 SCD (0.60) SCDHDAC1PPARDPPARA
SCHEMBL244691 0.85 SCD (0.62) SCDALDH1A1
SCHEMBL347383 0.85 SCD (0.82) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007123-B Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2014-04-30 CN claimed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US claimed
CN-102007123-B Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2014-04-30 CN disclosed
US-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
CN-102007123-A Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2011-04-06 CN disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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 (2 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-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885TYMS 726/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885TYMS 726/4885

“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.