SCHEMBL12065634

SCHEMBL12065634

COc1ccc2[nH]c(C(O)c3ccc(OC(F)(F)F)c(Cl)c3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
PDE2A O00408 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRIN2B Q13224 1/20 0.37
FOXO1 Q12778 1/20 0.36
BRS3 P32247 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
RUNX1 Q01196 1/20 0.35
F9 P00740 1/20 0.34
KMO O15229 1/20 0.34
CFB P00751 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
SCHEMBL14770673 0.89 MLKL (0.44) MLKLMEN1KMT2ABRS3ALDH1A1
SCHEMBL14763344 0.88 SCN10A (0.39) MLKLSCN10APDE2AMEN1KMT2A
SCHEMBL12065640 0.86 ALPL (0.40) MLKLPDE2AGRIN2BF9KMO
SCHEMBL12065285 0.86 SCN10A (0.46) MLKLSCN10APDE2AMEN1KMT2A
SCHEMBL14762826 0.84 GRIN2B (0.36) SCN10APDE2AGRIN2BFOXO1BRS3
SCHEMBL12065625 0.84 MLKL (0.55) MLKLPDE2AGRIN2BALDH1A1F9
SCHEMBL14770707 0.84 SCN10A (0.48) MLKLSCN10APDE2AMEN1KMT2A
SCHEMBL14770690 0.80 MLKL (0.52) MLKLMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14770671 0.80 MLKL (0.43) MLKLF9CFB
SCHEMBL12066573 0.79 SCN10A (0.46) MLKLSCN10APDE2AKMT2ARUNX1

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 85/4885PDE2A 1306/4885

“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.