SCHEMBL14770729

SCHEMBL14770729

CCCOC(c1ccc(OC)cc1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
AMY1A P0DUB6 1/20 0.37
FLT3 P36888 2/20 0.36
SLC2A1 P11166 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL14770728 0.92 ALPL (0.40) MLKLALPLALPIALPGALDH1A1
SCHEMBL14770727 0.91 MLKL (0.39) MLKLALPLALPIALPGALDH1A1
SCHEMBL14770498 0.91 MLKL (0.39) MLKLALPLALPIALPGALDH1A1
SCHEMBL12065659 0.88 SCN10A (0.39) MLKLALPLALPIALPG
SCHEMBL14770500 0.86 MLKL (0.38) MLKLALPLALPIALPGALDH1A1
SCHEMBL14770496 0.84 MLKL (0.41) MLKLALDH1A1KDM4EMEN1KMT2A
SCHEMBL14770678 0.84 MLKL (0.56) MLKLALDH1A1KDM4EMEN1KMT2A
SCHEMBL12066053 0.83 MLKL (0.41) MLKLALPLALPIALPGALDH1A1
SCHEMBL12065633 0.81 SCN10A (0.41) MLKL
SCHEMBL14770499 0.81 MLKL (0.44) MLKLALPLALPIALPGALDH1A1

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 2378/4885ALPL 4272/4885ALPI 3147/4885

“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.