SCHEMBL4583058

SCHEMBL4583058

O=C([O-])CN1CCN(CC(=O)[O-])CCN(CC(=O)Nc2cc(C(=O)NCCO)cc(C(=O)NCCO)c2)CCN(CC(=O)[O-])CC1.[Gd+3]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 2/20 0.40
POLB P06746 1/20 0.40
CACNA1H O95180 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ATM Q13315 2/20 0.39
NTRK2 Q16620 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL4581493 0.89 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2D6POLBCACNA1H
SCHEMBL4583067 0.88 ALDH1A1 (0.46) ALDH1A1KDM4ECYP2D6POLBCACNA1H
SCHEMBL6131652 0.75 NTRK2 (0.49) ALDH1A1KDM4EPOLBNTRK2NPC1
SCHEMBL4581843 0.72 PRMT5 (0.42) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL3321012 0.71 NTRK2 (0.65) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4581387 0.69 NAMPT (0.43) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL9717473 0.66 NTRK2 (0.59) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL15765970 0.65 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2HSD17B10
Tetraxetan SCHEMBL1444930 0.65 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2HSD17B10
Tetraxetan SCHEMBL29357691 0.65 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2HSD17B10

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 ALDH1A1 741/4885KDM4E 404/4885CYP2D6 2858/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS ALDH1A1 691/4885KDM4E 606/4885CYP2D6 2758/4885

“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.