SCHEMBL348310

SCHEMBL348310

COc1ccc(CN2CCN(c3nc(C)c(C(N)=O)s3)C2=O)cc1F

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.72
GPR52 Q9Y2T5 1/20 0.42
CHRM4 P08173 3/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL348110 0.92 SCD (0.60) SCDCHRM4PKMALDH1A1LMNA
SCHEMBL347927 0.90 SCD (0.69) SCD
SCHEMBL347593 0.89 SCD (0.79) SCDLMNA
SCHEMBL347271 0.85 SCD (0.79) SCDALDH1A1
SCHEMBL242657 0.84 SCD (1.00) SCDPKMLMNA
SCHEMBL347511 0.83 SCD (0.78) SCDGPR52PKM
SCHEMBL347276 0.83 SCD (0.59) SCDCHRM4
SCHEMBL348225 0.83 SCD (0.60) SCDCHRM4
SCHEMBL348231 0.82 SCD (0.80) SCD
SCHEMBL348250 0.82 SCD (0.77) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US claimed
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
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
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 1/4885GPR52 926/4885CHRM4 3011/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885GPR52 926/4885CHRM4 3011/4885

“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.