SCHEMBL243781

SCHEMBL243781

Cc1nc(Br)sc1C(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.61
CHRM4 P08173 6/20 0.57
MAOB P27338 1/20 0.51
CXCR4 P61073 1/20 0.48
MMP13 P45452 1/20 0.46
GAA P10253 1/20 0.45
PPARA Q07869 1/20 0.44
CACNA1G O43497 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44

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
SCHEMBL244641 0.86 SCD (0.58) SCDCHRM4PPARA
SCHEMBL5608014 0.84 SCD (0.58) SCDCHRM4MAOBCXCR4GAA
SCHEMBL243885 0.80 SCD (0.65) SCD
SCHEMBL4030640 0.79 SMN1; SMN2 (0.54) SCDCHRM4MAOBCXCR4MMP13
SCHEMBL775097 0.78 LCK (0.56) SCDCHRM4CXCR4GAAPPARA
SCHEMBL13082592 0.78 MMP13 (0.56) SCDCHRM4MMP13
SCHEMBL3369993 0.77 SCD (1.00) SCD
SCHEMBL3454999 0.76 SCD (0.59) SCDCHRM4MAOBPPARACACNA1G
SCHEMBL25124267 0.76 ADORA2A (0.44) SCDCHRM4
SCHEMBL3370632 0.75 SCD (0.80) SCD

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-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (4 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885CHRM4 3687/4885MAOB 456/4885
US-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885CHRM4 3011/4885MAOB 510/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885CHRM4 3011/4885MAOB 510/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885CHRM4 3011/4885MAOB 510/4885

“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.