SCHEMBL4581843

SCHEMBL4581843

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)Nc2cc(C(=O)NCC(O)CO)cc(C(=O)NCC(O)CO)c2)CCN(CC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4582854 0.88 TSHR (0.47) PRMT5WDR77ALDH1A1KMT2AMEN1
SCHEMBL4581493 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL4581387 0.83 NAMPT (0.43) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL4583067 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL29161354 0.76 KDM4E (0.43) ALDH1A1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL29350287 0.74 PRMT5 (0.45) PRMT5WDR77ALDH1A1KMT2AKDM4E
SCHEMBL4583058 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL22821572 0.71 ALDH1A1 (0.46) PRMT5ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL12856521 0.71 HPGD (0.46) PRMT5ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL26054346 0.71 ALDH1A1 (0.46) PRMT5ALDH1A1KMT2AKDM4ESMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 PRMT5 35/4885WDR77 4229/4885ALDH1A1 741/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS PRMT5 115/4885WDR77 4065/4885ALDH1A1 691/4885

“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.