SCHEMBL347155

SCHEMBL347155

Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.61
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 0.36

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
SCHEMBL347922 0.89 SCD (0.59) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL244565 0.89 SCD (0.59) SCDALDH1A1
SCHEMBL348271 0.88 SCD (0.59) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL244847 0.85 SCD (0.55) SCDALDH1A1GAAMAPT
SCHEMBL243073 0.84 SCD (0.59) SCDALDH1A1
SCHEMBL242156 0.84 SCD (0.57) SCDALDH1A1
SCHEMBL245256 0.83 SCD (0.61) SCD
SCHEMBL240762 0.82 SCD (0.52) SCDALDH1A1
SCHEMBL347675 0.81 SCD (0.62) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL241064 0.81 SCD (0.56) SCDALDH1A1GAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP claimed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US claimed
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP 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
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 1/4885KDM4E 683/4885ALDH1A1 451/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885ALDH1A1 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.