SCHEMBL4582763

SCHEMBL4582763

CCC(C)CNC(=O)c1cc(C(=O)NCC(C)CC)cc(N(C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 1/20 0.40
NAMPT P43490 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 1/20 0.38
ABCB1 P08183 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38

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
SCHEMBL9272425 0.83 ALDH1A1 (0.38) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL4582716 0.80 MGLL (0.48)
SCHEMBL7378563 0.74 SYK (0.57) MAPTKMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL4580804 0.74 GAA (0.39) HPGDKMT2AMEN1NAMPTGAA
SCHEMBL13350424 0.74 GAA (0.55) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL27558112 0.72 CHRNB2 (0.56) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL799425 0.72 NAMPT (0.58) ALDH1A1HPGDKMT2ANAMPTSMN1; SMN2
SCHEMBL19349021 0.72 NAMPT (0.58) ALDH1A1HPGDKMT2ANAMPTSMN1; SMN2
SCHEMBL20147826 0.70 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2AHSD17B10
SCHEMBL29793626 0.70 MAOB (0.55) ALDH1A1MAPTHPGDKMT2ACHRNB2

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 5 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-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 ALDH1A1 741/4885MAPT 2319/4885HPGD 4714/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS ALDH1A1 691/4885MAPT 1746/4885HPGD 4572/4885

“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.