SCHEMBL4581245

SCHEMBL4581245

O=C(NCCO)c1cc(C(=O)NCCO)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
GAA P10253 2/20 0.58
PKM P14618 1/20 0.56
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NTRK2 Q16620 1/20 0.50
ALOX5 P09917 2/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL9516997 0.97 PKM (0.59) LMNAMAPTMEN1KMT2AHTT
SCHEMBL9513718 0.89 NPC1 (0.52) LMNAMAPTMEN1KMT2AHTT
SCHEMBL27182339 0.87 PKM (0.64) LMNAMAPTMEN1KMT2AHTT
SCHEMBL3576870 0.85 MEN1 (0.60) LMNAMAPTMEN1KMT2AHTT
SCHEMBL10024469 0.85 GAA (0.60) LMNAMAPTMEN1KMT2AHTT
SCHEMBL11526434 0.85 PKM (0.59) LMNAMAPTMEN1KMT2AHTT
SCHEMBL6835143 0.84 ALDH1A1 (0.71) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL5674245 0.84 PKM (0.65) LMNAMAPTMEN1KMT2AHTT
SCHEMBL27182265 0.84 PKM (0.65) LMNAMAPTMEN1KMT2AHTT
SCHEMBL27182301 0.84 PKM (0.65) LMNAMAPTMEN1KMT2AHTT

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 4 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

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 LMNA 3524/4885MAPT 2319/4885MEN1 2333/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS LMNA 2658/4885MAPT 1746/4885MEN1 2050/4885

“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.