SCHEMBL164365

SCHEMBL164365

CC(C)(C)N(Cc1ncc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
APP P05067 2/20 0.40
RAB9A P51151 2/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
CPT1A P50416 1/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL5113646 0.82 ERCC5 (0.43) ERCC5FEN1HDAC1
SCHEMBL27912066 0.81 XDH (0.45) XDHERCC5FEN1APPRAB9A
SCHEMBL163650 0.78 XDH (0.45) XDHERCC5FEN1APPRAB9A
SCHEMBL27930182 0.77 XDH (0.44) XDHERCC5FEN1APPRAB9A
SCHEMBL14541793 0.76 XDH (0.56) XDHERCC5FEN1APPRAB9A
SCHEMBL162417 0.75 RECQL (0.49) XDHERCC5FEN1APPRAB9A
SCHEMBL12503674 0.75 XDH (0.49) XDHERCC5FEN1APPRAB9A
SCHEMBL162847 0.73 CYP2C19 (0.47) XDHERCC5FEN1APPRAB9A
SCHEMBL27930210 0.73 XDH (0.43) XDHERCC5FEN1APPRAB9A
SCHEMBL27930207 0.73 PDPK1 (0.55) XDHERCC5FEN1APPRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 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 (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 863/4885ERCC5 4116/4885FEN1 3792/4885

“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.