SCHEMBL83517

SCHEMBL83517

CC(CC(Cc1cccnc1)C(N)=O)C(=O)NCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 3/20 0.41
CHRM1 P11229 1/20 0.40
SLC1A2 P43004 1/20 0.40
LMNA P02545 2/20 0.38
C3AR1 Q16581 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL82395 0.94 NAMPT (0.41) MEN1HSP90AA1KMT2ACHRM4CHRM1
SCHEMBL83213 0.94 NAMPT (0.40) MEN1HSP90AA1KMT2ACHRM4CHRM1
SCHEMBL82755 0.94 NAMPT (0.40) MEN1HSP90AA1KMT2ACHRM4CHRM1
SCHEMBL81701 0.82 NAMPT (0.55)
SCHEMBL3092994 0.80 NAMPT (0.43)
SCHEMBL3080363 0.78 NAMPT (0.45) MEN1HSP90AA1KMT2ACHRM4CHRM1
SCHEMBL83847 0.77 LMNA (0.51) CHRM4LMNAC3AR1
SCHEMBL3079575 0.77 NAMPT (0.45) MEN1HSP90AA1KMT2ACHRM4CHRM1
SCHEMBL3080177 0.76 HDAC3 (0.47) KMT2ALMNA
SCHEMBL82837 0.75 PTAFR (0.53) CHRM4LMNAC3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 2011-01-05 JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT MEN1 1661/4885HSP90AA1 1700/4885KMT2A 2179/4885

“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.