SCHEMBL12065635

SCHEMBL12065635

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 6/20 0.68
SCN10A Q9Y5Y9 1/20 0.50
MTOR P42345 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.42
HTR2B P41595 1/20 0.41
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
ACP1 P24666 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL12065644 0.88 MLKL (0.52) MLKLSCN10AMTORALDH1A1POLB
SCHEMBL12065657 0.87 MLKL (0.51) MLKLSCN10AMTORALDH1A1POLB
SCHEMBL12065637 0.85 MLKL (0.49) MLKLSCN10AMTORALDH1A1POLB
SCHEMBL14762836 0.84 MLKL (0.48) MLKLSCN10AALDH1A1KDM4ENPSR1
SCHEMBL14762657 0.83 MLKL (0.47) MLKLSCN10AALDH1A1GAANPSR1
SCHEMBL12065626 0.82 MLKL (0.63) MLKLSCN10AMTORALDH1A1POLB
SCHEMBL12065280 0.82 MLKL (0.46) MLKLSCN10AALDH1A1KDM4ENPC1
SCHEMBL14763480 0.82 MLKL (0.57) MLKLSCN10AALDH1A1POLBIDO1
SCHEMBL14774196 0.78 MLKL (0.42) MLKLSCN10AKDM4ESMN1; SMN2
SCHEMBL12065643 0.75 SCN10A (0.46) MLKLSCN10AALDH1A1NPSR1RUNX1

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 2378/4885SCN10A 85/4885MTOR 786/4885

“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.