SCHEMBL14770730

SCHEMBL14770730

COc1ccc(C(OC(C)C)c2nc3cc(OC)ccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 4/20 0.44
CYP1A2 P05177 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP2E1 P05181 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C8 P10632 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2B6 P20813 4/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL14770731 0.91 MEN1 (0.49) MLKLCYP1A2CYP2C19CYP2E1CYP3A4
SCHEMBL12066053 0.90 MLKL (0.41) MLKLCYP1A2CYP2C19CYP2E1CYP3A4
SCHEMBL12065643 0.90 SCN10A (0.46) MLKLCYP1A2CYP2C19CYP2E1CYP3A4
SCHEMBL14770686 0.87 MLKL (0.60) MLKLALDH1A1MEN1KMT2AKDM4E
SCHEMBL14770549 0.86 ALDH1A1 (0.42) MLKLCYP1A2CYP2C19CYP2E1CYP3A4
SCHEMBL1460061 0.80 KDM4E (0.58) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL14770690 0.80 MLKL (0.52) MLKLCYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL5951828 0.77 MEN1 (0.56) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL5096626 0.77 ALDH1A1 (0.47) CYP1A2CYP2C19CYP2E1CYP3A4CYP2C8
SCHEMBL14762782 0.77 SCN10A (0.43) MLKLALDH1A1HPGD

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 2378/4885CYP1A2 2887/4885CYP2C19 1119/4885

“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.