SCHEMBL346834

SCHEMBL346834

Cc1nc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1ccon1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.64
HDAC1 Q13547 1/20 0.47
PPARA Q07869 1/20 0.43

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
SCHEMBL347032 0.89 SCD (0.63) SCDHDAC1
SCHEMBL348365 0.89 SCD (0.60) SCD
SCHEMBL244374 0.87 SCD (0.84) SCD
SCHEMBL1911711 0.87 SCD (0.64) SCDHDAC1
SCHEMBL244560 0.87 SCD (0.64) SCDHDAC1
SCHEMBL348435 0.86 SCD (0.63) SCDHDAC1PPARA
SCHEMBL347166 0.86 SCD (0.63) SCDHDAC1PPARA
SCHEMBL348243 0.86 SCD (0.83) SCD
SCHEMBL241834 0.85 SCD (0.83) SCD
SCHEMBL346796 0.84 SCD (0.65) SCDHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 136/4885PPARA 51/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885PPARA 51/4885

“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.