SCHEMBL348458

SCHEMBL348458

Cc1nc(N2CC(C)N(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.43
CHRM4 P08173 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
AHR P35869 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
SCHEMBL348457 1.00 SCD (0.43) SCDCHRM4ALDH1A1SMN1; SMN2NPC1
SCHEMBL348327 0.91 SCD (0.54) SCDCHRM4ALDH1A1SMN1; SMN2NPC1
SCHEMBL348326 0.91 SCD (0.54) SCDCHRM4ALDH1A1SMN1; SMN2NPC1
SCHEMBL346319 0.89 SCD (0.55) SCD
SCHEMBL346318 0.89 SCD (0.55) SCD
SCHEMBL348843 0.89 SCD (0.55) SCD
SCHEMBL348616 0.82 SCD (0.43) SCD
SCHEMBL348617 0.82 SCD (0.43) SCD
SCHEMBL346244 0.82 SCD (0.67) SCDCHRM4
SCHEMBL346245 0.82 SCD (0.67) SCDCHRM4

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 6 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 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-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

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 1/4885CHRM4 3011/4885ALDH1A1 451/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885CHRM4 3011/4885ALDH1A1 451/4885

“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.