SCHEMBL4582151

SCHEMBL4582151

O=C(CCl)Nc1cc(C(=O)NC(CO)CO)cc(C(=O)NC(CO)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MITF O75030 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
XBP1 P17861 1/20 0.39
NOD2 Q9HC29 1/20 0.39
HTT P42858 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
ALDH1A1 P00352 8/20 0.39
NNMT P40261 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PRMT1 Q99873 1/20 0.38
LMNA P02545 3/20 0.37
GMPS P49915 1/20 0.36
CASP3 P42574 2/20 0.36

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
SCHEMBL4580162 0.80 ALDH1A1 (0.37) NPC1RAB9AMITFNPSR1XBP1
SCHEMBL6131652 0.78 NTRK2 (0.49) NPC1RAB9AMITFNPSR1XBP1
SCHEMBL22821577 0.77 TAS1R3 (0.39) HTTSMN1; SMN2ALDH1A1TAS1R3TAS1R1
SCHEMBL22815249 0.77 TAS1R3 (0.36) HTTSMN1; SMN2TAS1R3TAS1R1LMNA
Hydrochloric Acid SCHEMBL8374390 0.76 SNCA (0.38) MEN1KMT2ALMNAPOLBL3MBTL1
SCHEMBL3403490 0.74 NQO2 (0.40) HTTALDH1A1TAS1R3TAS1R1POLB
SCHEMBL782086 0.74 GAA (0.56) NPC1RAB9AMITFNPSR1XBP1
SCHEMBL27409546 0.74 HTT (0.39) HTTSMN1; SMN2TAS1R3TAS1R1POLB
SCHEMBL8374205 0.74 ALOX5 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL23897626 0.73 TAS1R3 (0.39) HTTSMN1; SMN2TAS1R3TAS1R1LMNA

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.