SCHEMBL12065285

SCHEMBL12065285

COc1ccc2[nH]c(C(O)c3ccc(OC(F)(F)F)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.46
MLKL Q8NB16 2/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RUNX1 Q01196 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDE2A O00408 7/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL14770707 0.95 SCN10A (0.48) SCN10AMLKLMEN1KMT2AALDH1A1
SCHEMBL12066573 0.93 SCN10A (0.46) SCN10AMLKLKMT2ARUNX1TRPV1
SCHEMBL14770690 0.89 MLKL (0.52) MLKLMEN1KMT2AALDH1A1CYP1A2
SCHEMBL12066005 0.87 MEN1 (0.51) SCN10AMLKLMEN1KMT2AALDH1A1
SCHEMBL12066600 0.87 SCN10A (0.45) SCN10AMLKLMEN1KMT2AALDH1A1
SCHEMBL12066580 0.87 MLKL (0.43) SCN10AMLKLTRPV1PDE2ATOP2A
SCHEMBL12065245 0.87 ALPL (0.44) SCN10AMLKLKMT2AGPR139TRPV1
SCHEMBL12065634 0.86 MLKL (0.40) SCN10AMLKLMEN1KMT2AALDH1A1
SCHEMBL14763344 0.86 SCN10A (0.39) SCN10AMLKLMEN1KMT2AALDH1A1
SCHEMBL12066057 0.86 MLKL (0.42) SCN10AMLKLKMT2APDE2ATOP2A

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 8 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-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
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 SCN10A 85/4885MLKL 2378/4885MEN1 2676/4885

“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.