SCHEMBL349023

SCHEMBL349023

Cc1nc(-c2sc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)C3=O)nc2C)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.46
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TYMS P04818 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM2 Q14416 1/20 0.37
HDAC1 Q13547 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
LSS P48449 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL1912509 0.85 SCD (0.50) SCDTSHRPOLBHDAC1
SCHEMBL246011 0.79 SCD (0.62) SCDALDH1A1TSHRGRM2HDAC1
SCHEMBL348024 0.78 SCD (0.75) SCDALDH1A1TYMSGRM2HDAC1
SCHEMBL245153 0.77 SCD (0.60) SCDALDH1A1HDAC1
SCHEMBL1909592 0.76 SCD (0.45) SCDALDH1A1TSHRTYMSPOLB
SCHEMBL245130 0.75 SCD (0.62) SCDHDAC1
SCHEMBL244493 0.73 SCD (0.48) SCDTSHRPOLBHDAC1
SCHEMBL245933 0.73 SCD (0.60) SCDHDAC1
SCHEMBL244691 0.73 SCD (0.62) SCDALDH1A1
SCHEMBL347089 0.73 SCD (0.59) SCDALDH1A1TSHRPOLBHDAC1

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 9 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-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 1/4885ALDH1A1 451/4885TSHR 4191/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885ALDH1A1 451/4885TSHR 4191/4885

“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.