SCHEMBL1024571

SCHEMBL1024571

CC(C)(C)OC(=O)NCCNC(=O)CC(N)CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
MALT1 Q9UDY8 1/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA12 O43570 4/20 0.32
CA9 Q16790 4/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL1024059 0.93 MEN1 (0.45) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1022512 0.85 MEN1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4855960 0.85 MEN1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12954699 0.83 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12954851 0.80 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4850324 0.80 MEN1 (0.43) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1025324 0.80 MEN1 (0.43) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4880518 0.79 MEN1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL31137770 0.73 MEN1 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14026851 0.72 MEN1 (0.46) MEN1GAAKMT2ATDP1MAOA

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MEN1 2081/4885GAA 342/4885KMT2A 3059/4885

“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.