SCHEMBL348636

SCHEMBL348636

Cc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C#N

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.66
RAB9A P51151 1/20 0.53
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HDAC1 Q13547 1/20 0.43
PKM P14618 1/20 0.40
HTR1A P08908 2/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL242074 0.80 SCD (0.82) SCDRAB9APOLBKDM4ELMNA
SCHEMBL241052 0.80 SCD (0.82) SCDRAB9APOLBKDM4ELMNA
SCHEMBL242657 0.79 SCD (1.00) SCDRAB9APOLBKDM4ELMNA
SCHEMBL243486 0.78 SCD (0.77) SCDRAB9APOLBKDM4ELMNA
SCHEMBL244959 0.78 SCD (0.77) SCDRAB9APOLBKDM4ELMNA
SCHEMBL1909686 0.77 RAB9A (0.61) SCDRAB9APOLBKDM4ELMNA
SCHEMBL244209 0.77 SCD (0.76) SCDRAB9APOLBKDM4ELMNA
SCHEMBL347629 0.76 SCD (0.60) SCDRAB9APOLBKDM4ELMNA
SCHEMBL347282 0.76 SCD (0.60) SCDRAB9APOLBKDM4ELMNA
SCHEMBL244783 0.76 SCD (0.93) SCDTP53

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 10 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
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 1/4885RAB9A 4305/4885POLB 2337/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885RAB9A 4305/4885POLB 2337/4885

“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.