SCHEMBL162946

SCHEMBL162946

COC(=O)CCc1ncc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
MAPT P10636 5/20 0.44
APP P05067 2/20 0.44
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL161360 0.93 XDH (0.44) XDHMAPTAPPPTGS2MEN1
SCHEMBL160755 0.83 ERCC5 (0.41) MAPTAPPMEN1KMT2ACSNK2A2
SCHEMBL162847 0.82 CYP2C19 (0.47) XDHMAPTAPPMEN1KMT2A
SCHEMBL162291 0.82 XDH (0.43) XDHMAPTAPPPTGS2MEN1
SCHEMBL12503663 0.80 XDH (0.47) XDHMAPTAPPMEN1KMT2A
SCHEMBL162417 0.79 RECQL (0.49) XDHMAPTAPPMEN1KMT2A
SCHEMBL14541793 0.78 XDH (0.56) XDHMAPTAPPMEN1KMT2A
SCHEMBL163650 0.78 XDH (0.45) XDHMAPTAPPMEN1KMT2A
Hydrochloric Acid SCHEMBL163366 0.77 XDH (0.52) XDHMAPTAPPMEN1KMT2A
SCHEMBL12503674 0.77 XDH (0.49) XDHMAPTAPPKMT2ACSNK2A2

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.