SCHEMBL4582647

SCHEMBL4582647

O=C(CCl)Nc1ccc(C(=O)NCC(O)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MITF O75030 2/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOD2 Q9HC29 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PRMT1 Q99873 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
RNF4 P78317 1/20 0.42
NAMPT P43490 3/20 0.41

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
SCHEMBL11519584 0.80 NPC1 (0.53) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL24227433 0.79 PRMT5 (0.57) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL10717794 0.78 NPC1 (0.61) NPC1RAB9AMITFXBP1NPSR1
SCHEMBL4582854 0.77 TSHR (0.47) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL13157814 0.75 LMNA (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4979894 0.75 LMNA (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9781002 0.75 PRMT5 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12301897 0.75 LMNA (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28463256 0.75 OGG1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3465056 0.75 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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 6 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
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 NPC1 3578/4885RAB9A 272/4885MITF 2668/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS NPC1 3583/4885RAB9A 546/4885MITF 2394/4885

“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.