SCHEMBL12065637

SCHEMBL12065637

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.49
MTOR P42345 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
HTR2B P41595 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12065657 0.91 MLKL (0.51) MLKLMTORSCN10AIDO1ALDH1A1
SCHEMBL14770678 0.86 MLKL (0.56) MLKLIDO1ALDH1A1POLBMEN1
SCHEMBL12065659 0.86 SCN10A (0.39) MLKLSCN10AGPR139
SCHEMBL12065635 0.85 MLKL (0.68) MLKLMTORSCN10AIDO1ALDH1A1
SCHEMBL12065644 0.83 MLKL (0.52) MLKLMTORSCN10AIDO1ALDH1A1
SCHEMBL12066025 0.80 SCN10A (0.45) MLKLSCN10AMEN1KMT2AHTT
SCHEMBL12065641 0.78 ALPL (0.38) MLKLMTORSCN10AKMT2AGAA
SCHEMBL12065626 0.77 MLKL (0.63) MLKLMTORSCN10AIDO1ALDH1A1
SCHEMBL12065255 0.77 SCN10A (0.40) MLKLSCN10AMEN1KMT2AHTT
SCHEMBL14762773 0.77 SCN10A (0.43) MLKLSCN10AALDH1A1MEN1RAB9A

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 786/4885SCN10A 85/4885

“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.