SCHEMBL14770685

SCHEMBL14770685

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
FOXO1 Q12778 3/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AMY1A P0DUB6 2/20 0.44
POLB P06746 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL14770672 0.86 MLKL (0.62) MLKLL3MBTL1TSHRGAAFOXO1
SCHEMBL14770698 0.85 BRS3 (0.41) MLKLL3MBTL1MEN1CYP3A4MAPT
SCHEMBL14770650 0.85 AMY1A (0.50) MLKLL3MBTL1TSHRMEN1TP53
SCHEMBL14770682 0.84 AMY1A (0.41) MLKLL3MBTL1TSHRCYP3A4CYP2C9
SCHEMBL14770674 0.79 SMN1; SMN2 (0.56) MLKLTSHRGAAMEN1KMT2A
SCHEMBL29212596 0.77 MLKL (0.58) MLKLGAAMEN1TP53MAPK1
SCHEMBL16148232 0.76 MLKL (0.45) MLKLL3MBTL1TSHRMEN1TP53
SCHEMBL16756243 0.75 ALPL (0.58) MLKLGAATP53ALOX12MAPK1
SCHEMBL3397595 0.75 ALPL (0.58) MLKLGAATP53ALOX12MAPK1
SCHEMBL16756501 0.75 ALPL (0.58) MLKLGAATP53ALOX12MAPK1

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 2378/4885L3MBTL1 4421/4885TSHR 730/4885

“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.