SCHEMBL348046

SCHEMBL348046

CCOC(=O)c1sc(-n2c(=O)n(Cc3ccc(F)cc3)c3ccccc32)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SCD O00767 4/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.46
GLA P06280 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL348510 0.88 SCD (0.51) L3MBTL1SCD
SCHEMBL348605 0.82 SCD (0.65) SCD
SCHEMBL245124 0.78 SCD (0.76) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL244209 0.75 SCD (0.76) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL243812 0.74 SCD (0.67) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL12154099 0.74 SCD (0.52) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1911624 0.74 SCD (0.52) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL348977 0.73 MEN1 (0.53) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1911625 0.73 SCD (0.51) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1911626 0.73 SCD (0.51) KMT2AALDH1A1MEN1KDM4ESMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 4314/4885KMT2A 2098/4885ALDH1A1 451/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 L3MBTL1 4314/4885KMT2A 2098/4885ALDH1A1 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.