SCHEMBL12065629

SCHEMBL12065629

OC(c1ccc(C(F)(F)F)cc1)c1nc2cc(OC(F)F)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
PDE10A Q9Y233 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
IGFBP3 P17936 1/20 0.35
CHEK2 O96017 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B2 P37059 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 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
SCHEMBL12065628 0.90 MLKL (0.47) MLKLNPC1RAB9APKMPDE10A
SCHEMBL12066600 0.88 SCN10A (0.45) MLKLSCN10ANPC1RAB9APKM
SCHEMBL12065623 0.88 PRCP (0.43) MLKLSCN10ANPC1RAB9APKM
SCHEMBL14770666 0.86 MLKL (0.59) MLKLSCN10ANPC1RAB9APKM
SCHEMBL14770699 0.86 MLKL (0.46) MLKLSCN10ANPC1RAB9APKM
SCHEMBL12065632 0.84 MLKL (0.46) MLKLSCN10ANPC1RAB9APKM
SCHEMBL14770709 0.82 MEN1 (0.48) MLKLSCN10ARAB9AMEN1KMT2A
SCHEMBL12066586 0.82 SCN10A (0.44) MLKLSCN10APDE10AMEN1KMT2A
SCHEMBL12065613 0.82 ALPL (0.47) MLKLSCN10AIGFBP3PDE2A
SCHEMBL12066573 0.82 SCN10A (0.46) MLKLSCN10APDE10AKMT2APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US claimed
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 85/4885NPC1 2440/4885

“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.