SCHEMBL949369

SCHEMBL949369

CC(=O)NCCCC(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
NAMPT P43490 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KEAP1 Q14145 4/20 0.35
NFE2L2 Q16236 4/20 0.35
FAAH O00519 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
FPR2 P25090 1/20 0.34
NR3C1 P04150 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL948472 0.95 F10 (0.38) F2F10TP53L3MBTL1MEN1
SCHEMBL948981 0.87 KDM4E (0.46) TP53L3MBTL1MEN1KMT2AKEAP1
SCHEMBL948435 0.87 F2 (0.37) F2F10TP53L3MBTL1MEN1
SCHEMBL947848 0.86 F2 (0.35) F2F10TP53L3MBTL1MEN1
SCHEMBL948337 0.85 F10 (0.37) F2F10TP53FAAHHCAR1
SCHEMBL949039 0.83 F10 (0.38) F2F10TP53HCAR1GPR119
SCHEMBL950561 0.83 F10 (0.38) F2F10TP53MEN1KMT2A
SCHEMBL948168 0.82 TP53 (0.37) F2F10TP53FAAHHCAR1
SCHEMBL948908 0.82 L3MBTL1 (0.37) F2F10TP53L3MBTL1MEN1
SCHEMBL948646 0.81 TP53 (0.38) F2F10TP53HCAR1GPR119

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 F2 2/4885F10 545/4885NAMPT 4386/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F2 1/4885F10 490/4885NAMPT 4428/4885

“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.