SCHEMBL12065652

SCHEMBL12065652

OC(c1ccc(OC(F)(F)F)cc1)c1nc2ccc(Cl)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
PDE2A O00408 8/20 0.36
MTOR P42345 1/20 0.34
IGF1R P08069 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
DHODH Q02127 1/20 0.34
SCN8A Q9UQD0 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL14770513 0.84 MLKL (0.43) MLKLALDH1A1
SCHEMBL12065287 0.81 SCN10A (0.36) SCN10AALDH1A1PDE2AGPR139
SCHEMBL12065648 0.81 PDE10A (0.42) MLKLTOP2ATOP2BPDE2AMTOR
SCHEMBL12065251 0.80 MLKL (0.38) MLKLSCN10ATOP2ATOP2BPDE2A
SCHEMBL12065653 0.78 TOP2A (0.39) SCN10ATOP2ATOP2BPDE2A
SCHEMBL12066599 0.77 MLKL (0.45) MLKLSCN10ATOP2ATOP2BPDE2A
SCHEMBL12065639 0.76 TOP2A (0.37) SCN10ATOP2ATOP2BPDE2A
SCHEMBL12065626 0.76 MLKL (0.63) MLKLSCN10AALDH1A1TOP2ATOP2B
SCHEMBL12066573 0.76 SCN10A (0.46) MLKLSCN10ATOP2ATOP2BPDE2A
SCHEMBL14762777 0.75 TOP2A (0.36) SCN10ATOP2ATOP2BPDE2ASCN8A

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 3 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
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 85/4885ALDH1A1 4252/4885

“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.