SCHEMBL949370

SCHEMBL949370

CC(=O)NCCCC(=O)OCN1C=C2C(=O)N(C3CCN(C(=O)OC(C)(C)C)CC3)CN2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KEAP1 Q14145 8/20 0.36
NFE2L2 Q16236 8/20 0.36
GPR119 Q8TDV5 4/20 0.35
FPR2 P25090 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL948473 0.95 TP53 (0.40) TP53KEAP1NFE2L2GPR119FPR2
SCHEMBL948982 0.87 KDM4E (0.47) TP53KEAP1NFE2L2GPR119KDM4E
SCHEMBL947849 0.86 TP53 (0.37) TP53KEAP1NFE2L2GPR119FPR2
SCHEMBL948340 0.84 TP53 (0.39) TP53GPR119FPR2KDM4E
SCHEMBL948436 0.83 TP53 (0.37) TP53GPR119FPR2KDM4EPKM
SCHEMBL949040 0.83 TP53 (0.38) TP53GPR119FPR2KDM4E
SCHEMBL950563 0.82 TP53 (0.38) TP53GPR119FPR2KDM4E
SCHEMBL948169 0.81 TP53 (0.40) TP53GPR119FPR2KDM4E
SCHEMBL948909 0.81 TP53 (0.39) TP53GPR119FPR2KDM4EPKM
SCHEMBL948648 0.81 TP53 (0.41) TP53GPR119FPR2

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 TP53 4661/4885KEAP1 2964/4885NFE2L2 1285/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TP53 4591/4885KEAP1 2690/4885NFE2L2 1160/4885

“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.