SCHEMBL12066588

SCHEMBL12066588

OC(c1ccc(OC(F)(F)F)cc1)c1nc2c(F)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.40
▸ DHODH Q02127 3/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ PDE2A O00408 6/20 0.37
▸ CBFB Q13951 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ PARP1 P09874 2/20 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
SCHEMBL14770713 0.85 MLKL (0.45) MLKLDHODHPARP1
SCHEMBL12066581 0.82 TOP2A (0.39) MLKLDHODHTOP2ATOP2BPDE2A
SCHEMBL12065626 0.81 MLKL (0.63) MLKLTOP2ATOP2BCBFBMTOR
SCHEMBL12066030 0.81 PDE2A (0.38) MLKLDHODHPDE2ACBFBTRPV4
SCHEMBL12065651 0.79 SCN10A (0.45) MLKLTOP2ATOP2BPDE2ACBFB
SCHEMBL12066573 0.76 SCN10A (0.46) MLKLTOP2ATOP2BPDE2ACBFB
SCHEMBL12065245 0.76 ALPL (0.44) MLKLTOP2ATOP2BPDE2AMTOR
SCHEMBL14836719 0.73 GRIN1 (0.52) CBFB
SCHEMBL12066580 0.73 MLKL (0.43) MLKLTOP2ATOP2BPDE2AMTOR
SCHEMBL20685279 0.72 TYK2 (0.45) DHODHMTORPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MLKL 2378/4885DHODH 2727/4885TOP2A 3482/4885

“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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