SCHEMBL348987

SCHEMBL348987

CCOC(=O)c1sc(N2CCN(CC(C)C)C2=O)nc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
SCD O00767 9/20 0.46
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 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
SCHEMBL244610 0.88 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL244362 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL348625 0.85 SCD (0.50) ALDH1A1SCDHPGDHDAC1TSHR
SCHEMBL348691 0.85 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL347675 0.84 SCD (0.62) ALDH1A1MAPTSCDHDAC1
SCHEMBL241072 0.84 SCD (0.56) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL244847 0.83 SCD (0.55) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL244258 0.83 SCD (0.53) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL348996 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTSCD
SCHEMBL241064 0.81 SCD (0.56) ALDH1A1MEN1KMT2AMAPTSCD

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 12 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 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 ALDH1A1 451/4885MEN1 4876/4885KMT2A 2098/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 ALDH1A1 451/4885MEN1 4876/4885KMT2A 2098/4885

“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.