SCHEMBL12065643

SCHEMBL12065643

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.46
MLKL Q8NB16 2/20 0.39
PDE2A O00408 5/20 0.38
CNR1 P21554 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
RUNX1 Q01196 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAT2A P31153 1/20 0.35

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
SCHEMBL14770730 0.90 MLKL (0.44) MLKLCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14762782 0.89 SCN10A (0.43) SCN10AMLKLPDE2AGPR139TRPV1
SCHEMBL12065627 0.88 MEN1 (0.46) SCN10AMLKLPDE2AALDH1A1HPGD
SCHEMBL14762773 0.86 SCN10A (0.43) SCN10AMLKLPDE2ACNR1GPR139
SCHEMBL12065644 0.85 MLKL (0.52) SCN10AMLKLPDE2ARUNX1ALDH1A1
SCHEMBL14770638 0.84 SCN10A (0.52) SCN10APDE2ARUNX1TRPV1
SCHEMBL12065285 0.83 SCN10A (0.46) SCN10AMLKLPDE2AGPR139RUNX1
SCHEMBL12066053 0.83 MLKL (0.41) MLKLCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14770731 0.81 MEN1 (0.49) MLKLCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL14762836 0.80 MLKL (0.48) SCN10AMLKLPDE2ACNR1GPR139

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
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
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
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 2378/4885PDE2A 1306/4885

“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.