SCHEMBL12065632

SCHEMBL12065632

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 4/20 0.46
SCN10A Q9Y5Y9 3/20 0.41
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.34
CHEK2 O96017 1/20 0.34
PDE2A O00408 4/20 0.34
TRPV1 Q8NER1 1/20 0.34
PIK3CA P42336 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL14763112 0.88 FFAR1 (0.36) MLKLSCN10ANPC1RAB9AMEN1
SCHEMBL12065629 0.84 MLKL (0.41) MLKLSCN10ANPC1RAB9AMEN1
SCHEMBL12065655 0.84 MLKL (0.50) MLKLSCN10ARAB9AKDM4EPDE2A
SCHEMBL12065624 0.78 SCN10A (0.43) MLKLSCN10ANPC1RAB9AMEN1
SCHEMBL14770646 0.75 SCN10A (0.40) SCN10ANPC1RAB9AMEN1LMNA
SCHEMBL14762836 0.75 MLKL (0.48) MLKLSCN10AKDM4EPDE2ATRPV1
SCHEMBL12066562 0.75 MLKL (0.46) MLKLSCN10AMEN1LMNAKMT2A
SCHEMBL12065280 0.75 MLKL (0.46) MLKLSCN10ANPC1RAB9AMEN1
SCHEMBL14770699 0.74 MLKL (0.46) MLKLSCN10ANPC1RAB9AMEN1
SCHEMBL14762657 0.74 MLKL (0.47) MLKLSCN10APDE2ATRPV1ALDH1A1

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.