SCHEMBL162302

SCHEMBL162302

CC(C)(CCc1ncc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
XDH P47989 1/20 0.38
KMO O15229 2/20 0.36
KDM4E B2RXH2 1/20 0.35
APP P05067 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 2/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
GLA P06280 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL161575 0.86 LOXL2 (0.36) CSNK2A1ERCC5FEN1
SCHEMBL163650 0.82 XDH (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL162847 0.81 CYP2C19 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL15022887 0.80 XDH (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL162304 0.79 DGAT1 (0.45) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL15022047 0.78 XDH (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL162644 0.77 DGAT1 (0.47)
SCHEMBL162367 0.77 DGAT1 (0.47) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL162252 0.77 DGAT1 (0.48) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL15022031 0.72 XDH (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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 ALDH1A1 369/4885MEN1 2803/4885KMT2A 2187/4885

“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.