SCHEMBL161029

SCHEMBL161029

COC(=O)CCCc1ncc(-c2ccc(N)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
HDAC1 Q13547 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
CSNK2A1 P68400 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APP P05067 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL160755 0.92 ERCC5 (0.41) ERCC5FEN1HDAC1HDAC6CSNK2A1
SCHEMBL161360 0.83 XDH (0.44) ERCC5FEN1HDAC1CSNK2A1ALDH1A1
SCHEMBL25961565 0.80 ERCC5 (0.41) ERCC5FEN1HDAC1HDAC6CSNK2A1
SCHEMBL162470 0.79 ERCC5 (0.39) ERCC5FEN1HDAC1HDAC6CSNK2A1
SCHEMBL25962354 0.79 HRH3 (0.39) ERCC5FEN1HDAC1HDAC6
SCHEMBL161099 0.79 GLS (0.46) HDAC1CSNK2A1HPGDMAPTNPC1
SCHEMBL160613 0.78 PTPN1 (0.50) CSNK2A1SMN1; SMN2
SCHEMBL161893 0.78 DGAT1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL160848 0.78 ERCC5 (0.38) ERCC5FEN1HDAC1HDAC6CSNK2A1
SCHEMBL162497 0.78 DGAT1 (0.54) HDAC6MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO 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 (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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ERCC5 4116/4885FEN1 3792/4885HDAC1 949/4885

“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.