SCHEMBL14770490

SCHEMBL14770490

COc1ccc(C(O)c2nc3cc(F)ccc3[nH]2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 7/20 0.43
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
MLKL Q8NB16 2/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
HPSE Q9Y251 1/20 0.39
BRD4 O60885 1/20 0.38
CFB P00751 1/20 0.36
CHEK2 O96017 1/20 0.36
AHR P35869 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL14770488 0.88 BRD4 (0.43) AMY1AALPLALPIALPGMLKL
SCHEMBL14770716 0.87 MLKL (0.41) AMY1AMLKLTOP2ATOP2BHPSE
SCHEMBL14770503 0.87 AMY1A (0.42) AMY1AALPLALPIALPGHPSE
SCHEMBL14763165 0.87 ALPL (0.40) AMY1AALPLALPIALPGMLKL
SCHEMBL14770671 0.86 MLKL (0.43) AMY1AALPLALPIALPGMLKL
SCHEMBL14770723 0.85 MLKL (0.45) AMY1AALPLALPIALPGMLKL
SCHEMBL14770714 0.85 MLKL (0.59) AMY1AMLKLTOP2ATOP2BHPSE
SCHEMBL14770719 0.83 MEN1 (0.48) MLKLTOP2ATOP2BHPSECFB
SCHEMBL14770470 0.82 MLKL (0.48) AMY1AALPLALPIALPGMLKL
SCHEMBL14763344 0.80 SCN10A (0.39) MLKLTOP2ATOP2B

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 AMY1A 4661/4885ALPL 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.