SCHEMBL14770672

SCHEMBL14770672

COc1ccc(C(O)c2nc3ccccc3[nH]2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.62
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
IDO1 P14902 1/20 0.48
TSHR P16473 2/20 0.46
FOXO1 Q12778 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KLF5 Q13887 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX12 P18054 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14770685 0.86 MLKL (0.50) MLKLGAAL3MBTL1IDO1TSHR
SCHEMBL14770673 0.86 MLKL (0.44) MLKLGAAL3MBTL1MEN1CYP3A4
SCHEMBL14770714 0.85 MLKL (0.59) MLKLGAAL3MBTL1IDO1TSHR
SCHEMBL12065625 0.85 MLKL (0.55) MLKLGAAL3MBTL1IDO1POLB
SCHEMBL14770671 0.85 MLKL (0.43) MLKLGAAL3MBTL1CYP3A4CYP2C9
SCHEMBL14770661 0.79 MLKL (0.72) MLKLGAAL3MBTL1IDO1TSHR
SCHEMBL12065634 0.76 MLKL (0.40) MLKLFOXO1MEN1MAPTKMT2A
SCHEMBL13127055 0.74 CNR2 (0.57) L3MBTL1TSHRPOLBNPC1RAB9A
SCHEMBL30601597 0.74 MLKL (0.77) MLKLGAAL3MBTL1IDO1POLB
SCHEMBL899731 0.74 MLKL (0.77) MLKLGAAL3MBTL1IDO1POLB

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 2378/4885GAA 3586/4885L3MBTL1 4421/4885

“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.