SCHEMBL14770716

SCHEMBL14770716

COc1ccc2[nH]c(C(O)c3ccc(OC)c(Br)c3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.41
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPSE Q9Y251 2/20 0.38
CFB P00751 1/20 0.37
AMY1A P0DUB6 2/20 0.36
CHEK2 O96017 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 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
SCHEMBL14770719 0.90 MEN1 (0.48) MLKLTOP2ATOP2BMAPTMEN1
SCHEMBL14763344 0.89 SCN10A (0.39) MLKLTOP2ATOP2BMAPTMEN1
SCHEMBL14770490 0.87 AMY1A (0.43) MLKLTOP2ATOP2BHPSECFB
SCHEMBL14770652 0.87 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14770673 0.86 MLKL (0.44) MLKLMAPTMEN1KMT2AALDH1A1
SCHEMBL14770714 0.86 MLKL (0.59) MLKLTOP2ATOP2BMAPTMEN1
SCHEMBL14770690 0.85 MLKL (0.52) MLKLMAPTMEN1KMT2AALDH1A1
SCHEMBL14770608 0.81 MLKL (0.48) MLKLMAPTMEN1KMT2AALDH1A1
SCHEMBL12065634 0.78 MLKL (0.40) MLKLMAPTMEN1KMT2AALDH1A1
SCHEMBL12065656 0.78 MEN1 (0.45) MLKLMAPTMEN1KMT2AALDH1A1

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 2378/4885TOP2A 3482/4885TOP2B 3104/4885

“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.