SCHEMBL14770699

SCHEMBL14770699

COc1ccc(C(O)c2nc3cc(OC(F)F)ccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.46
CHEK2 O96017 1/20 0.43
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP4A P20648 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP4B P51164 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL12065628 0.92 MLKL (0.47) MLKLMEN1KMT2ANPC1RAB9A
SCHEMBL14770666 0.90 MLKL (0.59) MLKLCHEK2MEN1KMT2ANPC1
SCHEMBL14770690 0.90 MLKL (0.52) MLKLCHEK2GAATSHRMAPK1
SCHEMBL14770707 0.87 SCN10A (0.48) MLKLCHEK2GAATSHRMAPK1
SCHEMBL14770646 0.86 SCN10A (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL12065629 0.86 MLKL (0.41) MLKLCHEK2MEN1KMT2ANPC1
SCHEMBL12066600 0.86 SCN10A (0.45) MLKLGAAMEN1KMT2ANPC1
SCHEMBL14770470 0.85 MLKL (0.48) MLKLCHEK2GAATSHRMAPK1
SCHEMBL14770701 0.84 MLKL (0.49) MLKLCHEK2GAATSHRMAPK1
SCHEMBL12066577 0.84 MLKL (0.59) MLKLCHEK2GAATSHRMAPK1

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 2 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 disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US 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 2378/4885CHEK2 1636/4885GAA 3586/4885

“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.