SCHEMBL347942

SCHEMBL347942

Cc1nc(N2CCN(CCCC(F)(F)F)C2=O)sc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.60
HTR1A P08908 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL346824 0.90 SCD (0.47) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL348566 0.90 SCD (0.47) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL349224 0.86 SCD (0.46) SCDHTR1AALDH1A1MAPT
SCHEMBL348271 0.82 SCD (0.59) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL16638961 0.80 SCD (0.47) SCDKDM4EALDH1A1GAAMAPT
SCHEMBL348826 0.79 SCD (0.69) SCD
SCHEMBL347563 0.78 SCD (0.70) SCD
SCHEMBL347331 0.78 SCD (0.57) SCD
SCHEMBL348132 0.78 SCD (0.60) SCD
SCHEMBL347675 0.78 SCD (0.62) SCDKDM4EALDH1A1GAAMAPT

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 16 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
CN-102007123-B Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2014-04-30 CN 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
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-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 1/4885HTR1A 2299/4885KDM4E 683/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885HTR1A 2299/4885KDM4E 683/4885

“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.