Sugi Predict

Sugi Predict / Compounds / SCHEMBL348326

SCHEMBL348326

SCHEMBL348326

Cc1nc(N2C[C@@H](C)N(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 11/20 0.54
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CHRM4 P08173 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AHR P35869 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ FFAR1 O14842 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
SCHEMBL348327 1.00 SCD (0.54) SCDALDH1A1NPC1GAACHRM4
SCHEMBL348457 0.91 SCD (0.43) SCDALDH1A1NPC1GAACHRM4
SCHEMBL348458 0.91 SCD (0.43) SCDALDH1A1NPC1GAACHRM4
SCHEMBL348702 0.89 SCD (0.68) SCD
SCHEMBL348101 0.89 SCD (0.68) SCD
SCHEMBL348102 0.89 SCD (0.68) SCD
SCHEMBL348644 0.83 SCD (0.54) SCD
SCHEMBL348643 0.83 SCD (0.54) SCD
SCHEMBL347630 0.82 SCD (0.79) SCDALDH1A1NPC1GAA
SCHEMBL346244 0.81 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 13 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 claimed
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-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
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
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 1/4885ALDH1A1 451/4885NPC1 228/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885ALDH1A1 451/4885NPC1 228/4885

“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.