SCHEMBL4193786

SCHEMBL4193786

CC(C)(C)OC(=O)NCCC(N)c1cnn2c1NCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
DRD2 P14416 8/20 0.36
ALDH1A1 P00352 1/20 0.34
GFER P55789 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
LATS1 O95835 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 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
SCHEMBL4207415 0.94 MEN1 (0.37) MEN1KMT2AGAASTK17BSTK17A
SCHEMBL4199301 0.79 MEN1 (0.33) MEN1KMT2AATMTDP1CYP3A4
SCHEMBL4199957 0.78 MEN1 (0.37) MEN1KMT2AGAASTK17BSTK17A
SCHEMBL5497846 0.76 KDM4E (0.38) DRD2ALDH1A1GFERKDM4ETDP1
SCHEMBL4198054 0.74 SIRT2 (0.31) SIRT2SIRT1SIRT3
SCHEMBL4198052 0.74 MEN1 (0.32) MEN1KMT2AALDH1A1LMNAATM
SCHEMBL4198051 0.74 MEN1 (0.32) MEN1KMT2AALDH1A1LMNAATM
SCHEMBL5500895 0.73 NPFFR1 (0.38) MEN1KMT2AALDH1A1GFERKDM4E
SCHEMBL5496128 0.71 EPHX1 (0.40) DRD2ALDH1A1GFERSIRT2SIRT1
SCHEMBL5497748 0.70 KDM4E (0.37) ALDH1A1GFERKDM4ELMNATDP1

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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
EP-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO 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-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 MEN1 590/4885KMT2A 2117/4885GAA 4701/4885

“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.