SCHEMBL12065655

SCHEMBL12065655

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 4/20 0.50
▸ SCN10A Q9Y5Y9 3/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ NPBWR1 P48145 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CASR P41180 1/20 0.34
▸ PDE2A O00408 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
SCHEMBL12065619 0.87 IDO1 (0.38) MLKLSCN10AIDO1ALPLALPI
SCHEMBL14762836 0.86 MLKL (0.48) MLKLSCN10AALPLALPIALPG
SCHEMBL12066562 0.85 MLKL (0.46) MLKLSCN10AALPLALPIALPG
SCHEMBL12065632 0.84 MLKL (0.46) MLKLSCN10AKDM4ERAB9APDE2A
SCHEMBL12065613 0.81 ALPL (0.47) MLKLSCN10AIDO1ALPLALPI
SCHEMBL12065630 0.79 MLKL (0.41) MLKLSCN10AALPLALPIALPG
SCHEMBL14770500 0.78 MLKL (0.38) MLKLSCN10AALPLALPIALPG
SCHEMBL12066570 0.77 MLKL (0.44) MLKLALPLALPIALPGPDE2A
SCHEMBL12066013 0.77 SCN10A (0.40) MLKLSCN10AALPLALPIALPG
SCHEMBL12065257 0.76 MLKL (0.39) MLKLSCN10AIDO1BRD4PDE2A

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 5 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
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
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 85/4885IDO1 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.

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