SCHEMBL14770673

SCHEMBL14770673

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.44
CFB P00751 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
BRS3 P32247 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CHEK2 O96017 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 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
SCHEMBL12065634 0.89 MLKL (0.40) MLKLCFBBRS3MEN1KMT2A
SCHEMBL14770671 0.87 MLKL (0.43) MLKLCFBGAAL3MBTL1CYP3A4
SCHEMBL14770698 0.87 BRS3 (0.41) MLKLTAS1R3TAS1R1BRS3MEN1
SCHEMBL14770716 0.86 MLKL (0.41) MLKLCFBMEN1KMT2ACYP1A2
SCHEMBL14770672 0.86 MLKL (0.62) MLKLCFBMEN1KMT2ACYP2C19
SCHEMBL14770690 0.85 MLKL (0.52) MLKLMEN1KMT2ACYP1A2CYP2C19
SCHEMBL14770697 0.81 MLKL (0.51) MLKLMEN1KMT2ACYP1A2CHEK2
SCHEMBL14763344 0.78 SCN10A (0.39) MLKLMEN1KMT2ACYP1A2CYP2C19
SCHEMBL12065285 0.78 SCN10A (0.46) MLKLMEN1KMT2ACYP1A2CYP2C19
SCHEMBL14770719 0.77 MEN1 (0.48) MLKLCFBMEN1KMT2AALDH1A1

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 2378/4885CFB 4597/4885TAS1R3 546/4885

“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.