SCHEMBL4607255

SCHEMBL4607255

[N-]=[N+]=CC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
HIF1A Q16665 1/20 0.56
TRPV1 Q8NER1 4/20 0.46
EPHX2 P34913 3/20 0.45
NR1H4 Q96RI1 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
FAAH O00519 1/20 0.42
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE2A O00408 1/20 0.40

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
SCHEMBL23689892 0.79 EPHX2 (0.50) KMT2AALDH1A1TRPV1EPHX2NR1H4
SCHEMBL9449259 0.77 ALDH1A1 (0.61) KMT2AALDH1A1MEN1HTTHIF1A
SCHEMBL16563109 0.77 ALDH5A1 (0.52) KMT2AALDH1A1MEN1TRPV1EPHX2
SCHEMBL5367543 0.77 ALDH1A1 (0.71) KMT2AALDH1A1MEN1HTTHIF1A
SCHEMBL21600610 0.76 EPHX2 (0.47) KMT2AMEN1TRPV1EPHX2NR1H4
SCHEMBL9448941 0.75 ALDH1A1 (0.54) KMT2AALDH1A1MEN1HTTHIF1A
SCHEMBL9448908 0.74 ALDH1A1 (0.61) KMT2AALDH1A1MEN1HTTHIF1A
SCHEMBL4475347 0.74 NPC1 (0.60) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL20015846 0.74 EPHX2 (0.57) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL20134914 0.74 ALDH1A1 (0.61) KMT2AALDH1A1MEN1HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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 (2 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD KMT2A 3705/4885ALDH1A1 1696/4885MEN1 4844/4885
US-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD KMT2A 3698/4885ALDH1A1 1651/4885MEN1 4853/4885

“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.