SCHEMBL12066013

SCHEMBL12066013

COC(c1ccc(OC(F)(F)F)c(C#N)c1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.40
▸ MLKL Q8NB16 4/20 0.39
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ IDH1 O75874 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ AR P10275 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ ALPI P09923 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ MBOAT4 Q96T53 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
SCHEMBL12065630 0.85 MLKL (0.41) SCN10AMLKLBRD4ALPLALPI
SCHEMBL12065257 0.82 MLKL (0.39) SCN10AMLKLBRD4
SCHEMBL14762836 0.81 MLKL (0.48) SCN10AMLKLALPLALPIALPG
SCHEMBL12065655 0.77 MLKL (0.50) SCN10AMLKLBRD4ALPLALPI
SCHEMBL12066576 0.76 PDE2A (0.40) BRD4
SCHEMBL14762969 0.74 GRIN2B (0.36) BRD4
SCHEMBL12066568 0.74 PDE2A (0.34) SCN10AMLKLBRD4ALPLALPI
SCHEMBL12065654 0.74 MLKL (0.41) SCN10AMLKL
SCHEMBL14763480 0.72 MLKL (0.57) SCN10AMLKL
SCHEMBL12066562 0.72 MLKL (0.46) SCN10AMLKLALPLALPIALPG

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
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-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 SCN10A 85/4885MLKL 2378/4885PSEN1 943/4885

“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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