SCHEMBL12066581

SCHEMBL12066581

OC(c1ccc(OC(F)(F)F)cc1)c1nc2c(F)cc(Cl)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ MLKL Q8NB16 2/20 0.38
▸ RHEB Q15382 2/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ PDE2A O00408 6/20 0.35
▸ GRIN2B Q13224 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CHRNA7 P36544 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
SCHEMBL14770708 0.86 MLKL (0.42) MLKLGRIN2BGAA
SCHEMBL12066588 0.82 MLKL (0.40) TOP2ATOP2BMLKLSCN10APDE2A
SCHEMBL12066027 0.82 RHEB (0.35) RHEBSCN10APDE2A
SCHEMBL12066599 0.79 MLKL (0.45) TOP2ATOP2BMLKLSCN10APDE2A
SCHEMBL12065651 0.79 SCN10A (0.45) TOP2ATOP2BMLKLSCN10APDE2A
SCHEMBL12065626 0.76 MLKL (0.63) TOP2ATOP2BMLKLSCN10ACBFB
SCHEMBL12066573 0.76 SCN10A (0.46) TOP2ATOP2BMLKLSCN10APDE2A
SCHEMBL12065245 0.75 ALPL (0.44) TOP2ATOP2BMLKLSCN10APDE2A
SCHEMBL12065251 0.75 MLKL (0.38) TOP2ATOP2BMLKLRHEBSCN10A
SCHEMBL12066580 0.73 MLKL (0.43) TOP2ATOP2BMLKLSCN10APDE2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TOP2A 3482/4885TOP2B 3104/4885MLKL 2378/4885

“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.

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