SCHEMBL161360

SCHEMBL161360

COC(=O)CCCc1ncc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
MAPT P10636 2/20 0.43
APP P05067 2/20 0.42
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL162946 0.93 XDH (0.46) XDHMAPTAPPPTGS2LMNA
SCHEMBL161029 0.83 ERCC5 (0.39) MAPTAPPLMNAMEN1KMT2A
SCHEMBL162295 0.81 CSNK2A2 (0.53) MAPTLMNAMEN1KMT2ACSNK2A2
SCHEMBL162291 0.80 XDH (0.43) XDHMAPTAPPPTGS2MEN1
SCHEMBL162847 0.80 CYP2C19 (0.47) XDHMAPTAPPLMNAMEN1
SCHEMBL12503663 0.78 XDH (0.47) XDHMAPTAPPLMNAMEN1
SCHEMBL162417 0.77 RECQL (0.49) XDHMAPTAPPLMNAMEN1
SCHEMBL14541793 0.76 XDH (0.56) XDHMAPTAPPLMNAMEN1
SCHEMBL163650 0.76 XDH (0.45) XDHMAPTAPPLMNAMEN1
SCHEMBL160755 0.76 ERCC5 (0.41) MAPTAPPLMNAMEN1KMT2A

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 XDH 863/4885MAPT 137/4885APP 1205/4885

“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.