SCHEMBL12065245

SCHEMBL12065245

OC(c1ccc(OC(F)(F)F)cc1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
MLKL Q8NB16 2/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
TRPA1 O75762 2/20 0.40
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
MTOR P42345 1/20 0.37
PDE2A O00408 4/20 0.36
PDE10A Q9Y233 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GPR3 P46089 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL12066573 0.91 SCN10A (0.46) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL12065616 0.91 ALPL (0.42) ALPLALPIALPGMLKLSCN10A
SCHEMBL12066580 0.88 MLKL (0.43) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL14762997 0.87 MLKL (0.42) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL12066586 0.87 SCN10A (0.44) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL12065285 0.87 SCN10A (0.46) MLKLSCN10ATOP2ATOP2BPDE2A
SCHEMBL12066599 0.87 MLKL (0.45) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL12066057 0.87 MLKL (0.42) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL12065651 0.86 SCN10A (0.45) ALPLALPIALPGMLKLSCN10A
SCHEMBL12066600 0.86 SCN10A (0.45) MLKLSCN10ATOP2ATOP2BMTOR

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 ALPL 4272/4885ALPI 3147/4885ALPG 3384/4885

“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.