SCHEMBL243747

SCHEMBL243747

CNC(=O)c1cccc(CN2CCN(c3nc(C)c(-c4cc(C)n[nH]4)s3)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.48
HDAC1 Q13547 3/20 0.39
ROCK2 O75116 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.37

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
SCHEMBL240678 0.91 SCD (0.48) SCDHDAC1
SCHEMBL245005 0.82 SCD (0.60) SCDHDAC1TAS2R8
SCHEMBL242213 0.79 SCD (0.46) SCD
SCHEMBL10272408 0.77 SCD (0.50) SCDHDAC1
SCHEMBL1911665 0.72 SCD (0.47) SCDROCK2
SCHEMBL242710 0.71 SCD (0.61) SCDROCK2
SCHEMBL242641 0.71 SCD (0.58) SCDROCK2
SCHEMBL246305 0.71 SCD (0.82) SCD
SCHEMBL12172142 0.70 SCD (0.47) SCDROCK2
SCHEMBL240479 0.70 SCD (0.62) SCDHDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 17/4885ROCK2 4314/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885ROCK2 3930/4885

“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.