SCHEMBL12065626

SCHEMBL12065626

OC(c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.63
MTOR P42345 1/20 0.52
IDO1 P14902 1/20 0.51
PDE10A Q9Y233 2/20 0.49
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
HTR2B P41595 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL12066573 0.87 SCN10A (0.46) MLKLMTORPDE10AGAASCN10A
SCHEMBL12066580 0.84 MLKL (0.43) MLKLMTORPDE10ASCN10ATOP2A
SCHEMBL12065245 0.84 ALPL (0.44) MLKLMTORPDE10AGAASCN10A
SCHEMBL12066586 0.83 SCN10A (0.44) MLKLMTORPDE10ASCN10ATOP2A
SCHEMBL14762997 0.83 MLKL (0.42) MLKLMTORPDE10AGAASCN10A
SCHEMBL12066599 0.83 MLKL (0.45) MLKLMTORPDE10AGAASCN10A
SCHEMBL12066057 0.83 MLKL (0.42) MLKLMTORPDE10AGAASCN10A
SCHEMBL12065285 0.83 SCN10A (0.46) MLKLALDH1A1SCN10ATOP2ATOP2B
SCHEMBL14770661 0.82 MLKL (0.72) MLKLIDO1PDE10AGAAALDH1A1
SCHEMBL12065635 0.82 MLKL (0.68) MLKLMTORIDO1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578573-A1 FUSED IMIDAZOLE DERIVATIVE TOA Eiyo Ltd. (JP) 2013-04-10 EP claimed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US claimed
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
EP-2578573-A1 FUSED IMIDAZOLE DERIVATIVE TOA Eiyo Ltd. (JP) 2013-04-10 EP disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US disclosed
WO-2011148956-A1 FUSED IMIDAZOLE DERIVATIVE トーアエイヨー株式会社 (JP) 2011-12-01 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A MLKL 2378/4885MTOR 786/4885IDO1 1108/4885

“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.