SCHEMBL347271

SCHEMBL347271

COc1ccc(CN2CCN(c3nc(C)c(C(N)=O)s3)C2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.79
HDAC1 Q13547 1/20 0.52
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
PDE8B O95263 1/20 0.40

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
SCHEMBL347383 0.89 SCD (0.82) SCD
SCHEMBL12172139 0.89 SCD (0.82) SCDHDAC1
SCHEMBL348024 0.89 SCD (0.75) SCDHDAC1ALDH1A1
SCHEMBL242657 0.88 SCD (1.00) SCDHDAC1
SCHEMBL348446 0.88 SCD (0.80) SCDHDAC1CYP2C19
SCHEMBL346831 0.85 SCD (0.76) SCD
SCHEMBL347630 0.85 SCD (0.79) SCDHDAC1ALDH1A1GAA
SCHEMBL348310 0.85 SCD (0.72) SCDALDH1A1
SCHEMBL347593 0.83 SCD (0.79) SCD
SCHEMBL348231 0.82 SCD (0.80) 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 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 1/4885HDAC1 136/4885ALDH1A1 451/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885ALDH1A1 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.