SCHEMBL161492

SCHEMBL161492

O=[N+]([O-])c1ccc(-c2cnc(C3CCN(S(=O)(=O)C(F)(F)F)CC3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
XDH P47989 1/20 0.41
CPT1A P50416 1/20 0.39
APP P05067 1/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MLYCD O95822 2/20 0.35
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
KMO O15229 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL159024 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL161034 0.85 HSD11B1 (0.41) CNR1MLYCDHSD11B1
SCHEMBL255558 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL15041085 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL15034717 0.76 XDH (0.49) SLC6A2SLC6A4SLC6A3XDHAPP
Hydrochloric Acid SCHEMBL161578 0.75 XDH (0.48) SLC6A2SLC6A4SLC6A3XDHAPP
SCHEMBL163959 0.75 ALDH1A1 (0.52) SLC6A2SLC6A4SLC6A3CPT1AALDH1A1
SCHEMBL159937 0.74 CPT1A (0.44) SLC6A2SLC6A4SLC6A3XDHCPT1A
SCHEMBL162160 0.73 DGAT1 (0.42) CNR1TRPV1MLYCD
SCHEMBL163404 0.73 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CPT1AKMT2A

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 SLC6A2 449/4885SLC6A4 1375/4885SLC6A3 418/4885

“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.