SCHEMBL4582180

SCHEMBL4582180

CCC(C)CNNC(=O)c1cc(C(=O)NNCC(C)CC)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 6/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 3/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALOX5 P09917 1/20 0.40
HPGD P15428 1/20 0.40
APOBEC3G Q9HC16 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
SCHEMBL4580422 0.80 HDAC3 (0.35) GAAHDAC3HDAC1HDAC2MAPT
SCHEMBL25932079 0.74 ALDH1A1 (0.49) GAAMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL8910055 0.73 RAB9A (0.54) HDAC3HDAC1HDAC2ALDH1A1RAB9A
SCHEMBL9099887 0.73 HSD17B10 (0.33) GAAHDAC3HDAC2MAPTALDH1A1
SCHEMBL7995220 0.72 GAA (0.59) GAAMAPTALDH1A1RAB9AHTT
SCHEMBL5508052 0.71 RAB9A (0.58) GAAHDAC3HDAC1HDAC2MAPT
SCHEMBL27233005 0.71 GAA (0.54) GAAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL7875596 0.70 GAA (0.51) GAAMAPTALDH1A1HTTLMNA
SCHEMBL13350424 0.70 GAA (0.55) GAAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12852871 0.70 ALOX5 (0.53) GAAMAPTALDH1A1SMN1; SMN2HTT

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 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
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 EP disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 WO 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 GAA 4341/4885HDAC3 253/4885HDAC1 67/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS GAA 3645/4885HDAC3 269/4885HDAC1 94/4885

“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.