SCHEMBL948982

SCHEMBL948982

CC(C)(C)OC(=O)N1CCC(N2CN3CN(COC(=O)CCCCNC(=O)c4ccccc4)C=C3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
KEAP1 Q14145 4/20 0.41
NFE2L2 Q16236 4/20 0.41
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
LMNA P02545 1/20 0.37
NAMPT P43490 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL949370 0.87 TP53 (0.39) KDM4EPKMKEAP1NFE2L2TP53
SCHEMBL948473 0.84 TP53 (0.40) KDM4EPKMKEAP1NFE2L2TP53
SCHEMBL947849 0.83 TP53 (0.37) KDM4EPKMKEAP1NFE2L2TP53
SCHEMBL948436 0.79 TP53 (0.37) KDM4EPKMTP53GPR119
SCHEMBL948340 0.78 TP53 (0.39) KDM4ETP53GPR119
SCHEMBL948503 0.78 TP53 (0.36) TP53GPR119LMNA
SCHEMBL948169 0.77 TP53 (0.40) KDM4ETP53GPR119
SCHEMBL949040 0.77 TP53 (0.38) KDM4ETP53GPR119
SCHEMBL947774 0.76 TP53 (0.38) TP53GPR119LMNA
SCHEMBL948928 0.76 TP53 (0.38) KDM4ETP53GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 KDM4E 1356/4885PKM 1959/4885KEAP1 2964/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 KDM4E 1558/4885PKM 1871/4885KEAP1 2690/4885

“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.