SCHEMBL12066546

SCHEMBL12066546

Fc1ccc2[nH]c(C(Oc3cccnc3)c3ccc(OC(F)(F)F)cc3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ CBFB Q13951 2/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ TRPA1 O75762 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ MLKL Q8NB16 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ AHR P35869 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
SCHEMBL12065645 0.89 SCN10A (0.38) CBFBSCN10ATRPA1MLKLPDE2A
SCHEMBL14770493 0.88 MLKL (0.38) IDO1CYP11B1CYP11B2KITMLKL
SCHEMBL14762836 0.81 MLKL (0.48) SCN10ATRPA1MLKLPDE2A
SCHEMBL14762782 0.79 SCN10A (0.43) SCN10ATRPA1MLKLPDE2A
SCHEMBL12065615 0.79 SCN10A (0.38) CBFBSCN10ATRPA1MLKLPDE2A
SCHEMBL12065255 0.79 SCN10A (0.40) SCN10ATRPA1MLKLPDE2A
SCHEMBL12066063 0.78 SCN10A (0.38) CBFBSCN10ATRPA1MLKLPDE2A
SCHEMBL12066547 0.77 SCN10A (0.43) SCN10ATRPA1MLKLPDE2A
SCHEMBL12065659 0.77 SCN10A (0.39) SCN10ATRPA1MLKLPDE2A
SCHEMBL12065641 0.77 ALPL (0.38) SCN10ATRPA1MLKLPDE2A

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 4 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 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 NPY5R 965/4885IDO1 1108/4885NPC1 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.

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