SCHEMBL4579151

SCHEMBL4579151

CC(=O)OCC(COC(C)=O)NC(=O)c1cc(C(=O)NC(COC(C)=O)COC(C)=O)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALOX5 P09917 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL14920940 0.81 MAPT (0.48) MAPTALDH1A1RAB9AGAAHTT
SCHEMBL4581763 0.80 TAS1R3 (0.38) HTTSMN1; SMN2
SCHEMBL11224199 0.79 GAA (0.42) MAPTALDH1A1RAB9AGAAHTT
SCHEMBL4582217 0.78 GAA (0.48) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3071601 0.76 MEN1 (0.56) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL14934959 0.74 SMN1; SMN2 (0.44) MAPTALDH1A1RAB9AGAAHTT
SCHEMBL19311948 0.74 TSHR (0.49) MAPTALDH1A1RAB9AGAAHTT
SCHEMBL9566637 0.74 SMN1; SMN2 (0.45) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9817983 0.74 ALOX5 (0.53) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL4580162 0.73 ALDH1A1 (0.37) MAPTALDH1A1RAB9AHTTSMN1; SMN2

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 MAPT 2319/4885ALDH1A1 741/4885RAB9A 272/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS MAPT 1746/4885ALDH1A1 691/4885RAB9A 546/4885

“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.