SCHEMBL4580804

SCHEMBL4580804

CCC(C)CNC(=O)c1cc(C(=O)NCC(C)CC)cc(N(C)C(=O)CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 3/20 0.37
HPGD P15428 2/20 0.36
NNMT P40261 6/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 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
SCHEMBL9078752 0.83 NNMT (0.42) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL13350424 0.81 GAA (0.55) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL4582088 0.79 DRD4 (0.38) GAAKMT2AHSD17B10NAMPTPDE10A
SCHEMBL4582763 0.74 ALDH1A1 (0.43) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL4580800 0.74 NAMPT (0.40) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL4582006 0.73 GAA (0.46) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL13044612 0.72 ATM (0.48) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL17865782 0.71 NAMPT (0.58) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL9079648 0.69 HSD17B10 (0.42) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL1387584 0.68 NAMPT (0.36) GAAKMT2AHSD17B10NAMPTNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351389-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2008-04-01 US disclosed
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-28 US disclosed
US-6875864-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-05 US disclosed
US-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US disclosed
EP-0543482-B1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INT BV (NL) 2002-02-06 EP disclosed
EP-0543482-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 1993-05-26 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-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties ARGLU1, PRMT1, AADAC GAA 4341/4885KMT2A 570/4885HSD17B10 4364/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS GAA 3645/4885KMT2A 752/4885HSD17B10 4486/4885

“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.