SCHEMBL4581493

SCHEMBL4581493

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CACNA1H O95180 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.40
NTRK2 Q16620 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
RAB9A P51151 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
SCHEMBL4583067 0.99 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL4583058 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL4581843 0.83 PRMT5 (0.42) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL4581387 0.80 NAMPT (0.43) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL6131652 0.76 NTRK2 (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2NPC1
SCHEMBL8034106 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL16731669 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL25328219 0.74 MEN1 (0.48) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL23261788 0.73 NAMPT (0.50) ALDH1A1ATMNPC1LMNA
SCHEMBL29300518 0.73 L3MBTL1 (0.53) ALDH1A1KMT2AMEN1ATMPOLB

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 741/4885KMT2A 570/4885MEN1 2333/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS ALDH1A1 691/4885KMT2A 752/4885MEN1 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.