SCHEMBL4581623

SCHEMBL4581623

CC(=O)OCCNC(=O)c1cc(N)cc(C(=O)NCCOC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL8403025 0.79 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6936998 0.78 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL28729389 0.77 KMT2A (0.43) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL8331737 0.77 MEN1 (0.68) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL4581666 0.75 NTRK2 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6417734 0.75 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL15485079 0.75 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3579860 0.75 NPC1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19634682 0.75 KMT2A (0.55) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL16087965 0.75 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPK1RXFP1

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 KMT2A 570/4885MEN1 2333/4885CYP1A2 2422/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS KMT2A 752/4885MEN1 2050/4885CYP1A2 2329/4885

“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.