SCHEMBL4581596

SCHEMBL4581596

CC(=O)N(c1ccc(N)cc1)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.39
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35
S1PR1 P21453 1/20 0.35
DRD4 P21917 1/20 0.34
CASP6 P55212 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAD52 P43351 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 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
SCHEMBL8723002 0.99 SLC6A9 (0.38) SLC6A9HSD17B10LMNAMAPTS1PR1
SCHEMBL8722452 0.94 MAPT (0.37) SLC6A9HSD17B10LMNAMAPTS1PR1
SCHEMBL8723014 0.86 MAPT (0.36) LMNAMAPTDRD4CASP6GFER
SCHEMBL8722456 0.85 RAD52 (0.37) LMNAMAPTCASP6GFERALDH1A1
Hydrochloric Acid SCHEMBL8719317 0.84 RAD52 (0.36) LMNAMAPTCASP6GFERALDH1A1
Hydrochloric Acid SCHEMBL8722394 0.82 SLC6A9 (0.30) SLC6A9
SCHEMBL8723022 0.81 CASP6 (0.33) MAPTCASP6GFERALDH1A1
SCHEMBL6320212 0.81 LMNA (0.44) HSD17B10LMNAMAPTCASP6GFER
SCHEMBL4581605 0.80 MAPT (0.42) LMNAMAPTALDH1A1
Tetraxetan SCHEMBL861961 0.80 SLC6A9 (0.49) SLC6A9HSD17B10LMNAMAPTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US claimed
EP-0543482-B1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INT BV (NL) 2002-02-06 EP claimed
EP-0543482-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 1993-05-26 EP claimed
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-0814849-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO International B.V. (NL) 1998-01-07 EP disclosed
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 WO 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 SLC6A9 1383/4885HSD17B10 4364/4885LMNA 3524/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS SLC6A9 1443/4885HSD17B10 4486/4885LMNA 2658/4885

“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.