SCHEMBL4306945

SCHEMBL4306945

NC(=O)c1cc(C(N)=O)c(O)c(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
PTPN11 Q06124 2/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LCK P06239 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL23829734 0.83 MEN1 (0.42) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL27543552 0.77 PARP1 (0.45) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL6511630 0.77 CYP3A4 (0.40) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL6027899 0.77 KDM4E (0.43) PARP1MAPTTSHRHSD17B10KDM4E
SCHEMBL813450 0.76 PARP1 (0.53) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL2139 0.76 KDM4E (0.59) PARP1SMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL6514540 0.75 CYP3A4 (0.39) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL6523892 0.75 CYP3A4 (0.39) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL6520264 0.75 CYP3A4 (0.39) PARP1CYP3A4SMN1; SMN2MAPTTSHR
SCHEMBL21984133 0.75 PLAU (0.41) SMN1; SMN2MAPTTSHRKDM4EALDH1A1

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
EP-2051968-B1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES UNIV CALIFORNIA (US) 2020-04-29 EP disclosed
US-8551453-B2 Aromatic triamide-lanthanide complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-08 US disclosed
US-20090036537-A1 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-05 US disclosed
EP-1706452-B1 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES UNIV CALIFORNIA OFFICE OF THE (US) 2008-09-03 EP disclosed
EP-1706452-A4 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES UNIV CALIFORNIA OFFICE OF THE (US) 2007-01-10 EP disclosed
EP-1706452-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES The Regents of the University of California, Office of the President (US) 2006-10-04 EP disclosed
WO-2006001835-A2 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-05 WO 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 (1 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-20090036537-A1 AROMATIC TRIAMIDE-LANTHANIDE COMPLEXES TRPV5, TRPC5, TRPM5 PARP1 1372/4885CYP3A4 3870/4885SMN1; SMN2 4746/4885

“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.