SCHEMBL12065616

SCHEMBL12065616

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
MLKL Q8NB16 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
PDE10A Q9Y233 2/20 0.35
IDO1 P14902 3/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
BRD4 O60885 1/20 0.33
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32

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
SCHEMBL12065245 0.91 ALPL (0.44) ALPLALPIALPGMLKLTRPV1
SCHEMBL14770470 0.83 MLKL (0.48) ALPLALPIALPGMLKLPDE10A
SCHEMBL12066561 0.83 PRCP (0.43) ALPLALPIALPGMLKLPDE10A
SCHEMBL12066573 0.82 SCN10A (0.46) MLKLTRPV1PDE10ASCN10AKMT2A
SCHEMBL12065613 0.82 ALPL (0.47) ALPLALPIALPGMLKLIDO1
SCHEMBL14770491 0.80 KMT2A (0.51) ALPLALPIALPGMLKLPDE10A
SCHEMBL12066600 0.79 SCN10A (0.45) MLKLPDE10ASCN10AALDH1A1MEN1
SCHEMBL14770477 0.79 MLKL (0.66) ALPLALPIALPGMLKLIDO1
SCHEMBL12065617 0.79 ALPL (0.44) ALPLALPIALPGMLKL
SCHEMBL12066580 0.79 MLKL (0.43) MLKLTRPV1PDE10ASCN10A

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 11 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
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
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.