SCHEMBL14770728

SCHEMBL14770728

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
MLKL Q8NB16 3/20 0.38
FLT3 P36888 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
AMY1A P0DUB6 1/20 0.36
LMNA P02545 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
SLC2A1 P11166 1/20 0.35
GRM2 Q14416 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL14770727 0.92 MLKL (0.39) ALPLALPIALPGMLKLFLT3
SCHEMBL14770729 0.92 MLKL (0.39) ALPLALPIALPGMLKLFLT3
SCHEMBL14770498 0.90 MLKL (0.39) ALPLALPIALPGMLKLFLT3
SCHEMBL12065641 0.87 ALPL (0.38) ALPLALPIALPGMLKLKDM4E
SCHEMBL14770500 0.85 MLKL (0.38) ALPLALPIALPGMLKLFLT3
SCHEMBL14770496 0.83 MLKL (0.41) MLKLKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12066053 0.82 MLKL (0.41) ALPLALPIALPGMLKLFLT3
SCHEMBL12065659 0.81 SCN10A (0.39) ALPLALPIALPGMLKL
SCHEMBL14770470 0.80 MLKL (0.48) ALPLALPIALPGMLKLFLT3
SCHEMBL12065633 0.80 SCN10A (0.41) MLKL

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 ALPL 4272/4885ALPI 3147/4885ALPG 3384/4885

“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.