SCHEMBL14762997

SCHEMBL14762997

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ OPRM1 P35372 1/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ MTOR P42345 1/20 0.36
▸ PDE2A O00408 7/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ 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 0.90 SCN10A (0.46) MLKLTRPV1SCN10ATOP2ATOP2B
SCHEMBL12066580 0.87 MLKL (0.43) MLKLTRPV1SCN10ATOP2ATOP2B
SCHEMBL12065245 0.87 ALPL (0.44) MLKLTRPV1SCN10ATOP2ATOP2B
SCHEMBL12066599 0.86 MLKL (0.45) MLKLTRPV1SCN10ATOP2ATOP2B
SCHEMBL12066586 0.86 SCN10A (0.44) MLKLTRPV1SCN10ATOP2ATOP2B
SCHEMBL12066057 0.86 MLKL (0.42) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL12065285 0.86 SCN10A (0.46) MLKLTRPV1SCN10ATOP2ATOP2B
SCHEMBL12066600 0.85 SCN10A (0.45) MLKLSCN10ATOP2ATOP2BMTOR
SCHEMBL14770608 0.84 MLKL (0.48) MLKLPDE10AGAAKMT2A
SCHEMBL14770707 0.83 SCN10A (0.48) MLKLTRPV1SCN10APDE2AGAA

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
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

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 2378/4885TRPV1 15/4885SCN10A 85/4885

“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.

Send feedback