SCHEMBL4581387

SCHEMBL4581387

CCC(C)CNC(=O)c1cc(NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc(C(=O)NCC(C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ATM Q13315 2/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL4581843 0.83 PRMT5 (0.42) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL4582088 0.80 DRD4 (0.38) NAMPTKMT2AHSD17B10LMNA
SCHEMBL4581493 0.80 ALDH1A1 (0.47) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL4583067 0.79 ALDH1A1 (0.46) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL1387584 0.78 NAMPT (0.36) NAMPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL13350424 0.75 GAA (0.55) NAMPTMEN1KMT2AATMALDH1A1
SCHEMBL9079648 0.74 HSD17B10 (0.42) NAMPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4582006 0.73 GAA (0.46) NAMPTMEN1KMT2AATMKDM4E
SCHEMBL4582854 0.71 TSHR (0.47) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL25712304 0.69 KMT2A (0.50) MEN1KMT2AATMALDH1A1SMN1; 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 9 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 claimed
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-28 US claimed
US-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US 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-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 NAMPT 4507/4885MEN1 2333/4885KMT2A 570/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS NAMPT 4043/4885MEN1 2050/4885KMT2A 752/4885

“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.