SCHEMBL4582854

SCHEMBL4582854

O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)Nc2ccc(C(=O)NCC(O)CO)cc2)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4581843 0.88 PRMT5 (0.42) TSHRHTTATMNPC1ALDH1A1
SCHEMBL4582647 0.77 NPC1 (0.46) HTTNPC1ALDH1A1MEN1KMT2A
SCHEMBL29300518 0.77 L3MBTL1 (0.53) TSHRATMNPC1ALDH1A1MEN1
SCHEMBL23261788 0.77 NAMPT (0.50) TSHRHTTATMNPC1ALDH1A1
SCHEMBL29299663 0.76 FOLH1 (0.53) TSHRHTTATMNPC1ALDH1A1
SCHEMBL29300447 0.76 L3MBTL1 (0.55) ATMNPC1ALDH1A1MEN1KMT2A
SCHEMBL18843660 0.74 ALDH1A1 (0.68) TSHRATMNPC1ALDH1A1MEN1
SCHEMBL18843662 0.74 ALDH1A1 (0.68) TSHRATMNPC1ALDH1A1MEN1
SCHEMBL14192211 0.74 ALDH1A1 (0.72) HTTATMNPC1ALDH1A1MEN1
SCHEMBL15499796 0.73 NPC1 (0.56) HTTATMNPC1ALDH1A1MEN1

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-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US 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 TSHR 2437/4885HTT 3097/4885ATM 2468/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS TSHR 2139/4885HTT 2496/4885ATM 1754/4885

“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.