SCHEMBL4580422

SCHEMBL4580422

CCC(C)CNNC(=O)c1cc(N)cc(C(=O)NNCC(C)CC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.35
HDAC8 Q9BY41 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 6/20 0.33
HDAC2 Q92769 6/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL9099887 0.80 HSD17B10 (0.33) HDAC3HDAC8GAAKMT2AHSD17B10
SCHEMBL4582180 0.80 GAA (0.47) HDAC3GAAKMT2AHDAC1HDAC2
SCHEMBL8910055 0.78 RAB9A (0.54) HDAC3HDAC8HDAC1HDAC2ALDH1A1
SCHEMBL13350424 0.74 GAA (0.55) GAAKMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9099895 0.70 TSHR (0.34) HSD17B10HTT
SCHEMBL13044612 0.69 ATM (0.48) GAAKMT2AHSD17B10KDM4EHTT
SCHEMBL5940560 0.68 KDM4E (0.53) HDAC3HDAC8GAAKMT2AHSD17B10
SCHEMBL11341058 0.67 KDM4E (0.58) GAAHDAC1ALDH1A1KDM4EMAPT
SCHEMBL4582006 0.67 GAA (0.46) GAAKMT2AHSD17B10KDM4EHTT
SCHEMBL18020906 0.67 POLB (0.47) SMN1; 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 7 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-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 HDAC3 253/4885HDAC8 894/4885GAA 4341/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS HDAC3 269/4885HDAC8 821/4885GAA 3645/4885

“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.