SCHEMBL14027740

SCHEMBL14027740

CC(C)(C)OC(=O)NCCNC(=O)[C@@H](N)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ EPHX1 P07099 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.39
▸ CA12 O43570 5/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ CA9 Q16790 5/20 0.38
▸ ECE1 P42892 1/20 0.36
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BCHE P06276 1/20 0.35

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
SCHEMBL12954627 0.88 MAOA (0.44) MAOAMAOBMEN1GAAKMT2A
SCHEMBL14026851 0.88 MEN1 (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL16368840 0.88 MEN1 (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL14030599 0.85 MAOA (0.48) MAOAMAOBMEN1GAAKMT2A
SCHEMBL12954784 0.84 MAOA (0.40) MAOAMAOBMEN1GAAKMT2A
SCHEMBL12954787 0.83 MAOA (0.41) MAOAMAOBMEN1GAAKMT2A
SCHEMBL3122792 0.82 MEN1 (0.53) MAOAMAOBMEN1GAAKMT2A
SCHEMBL12954612 0.81 MEN1 (0.62) MAOAMAOBMEN1GAAKMT2A
SCHEMBL18794648 0.80 MEN1 (0.40) MAOAMAOBMEN1GAAKMT2A
SCHEMBL30387270 0.80 MEN1 (0.51) MAOAMAOBMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOA 1068/4885MAOB 1265/4885MEN1 2081/4885

“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.

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