SCHEMBL5483086

SCHEMBL5483086

C=CCOC(=O)c1sccc1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK10 P53779 6/20 0.47
MAPK8 P45983 5/20 0.47
MAPK9 P45984 5/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43

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
SCHEMBL1367369 0.79 NPC1 (0.71) HPGDSMN1; SMN2MAPK10NPC1L3MBTL1
SCHEMBL18984964 0.76 CYP3A4 (0.59) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL10718834 0.75 NPC1 (0.50) HPGDSMN1; SMN2MAPK10MAPK8MAPK9
SCHEMBL4786272 0.75 ALDH1A1 (0.54) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL17181737 0.73 HPGD (0.52) HPGDSMN1; SMN2MAPK10MAPK8MAPK9
SCHEMBL1704250 0.72 PTPN2 (0.68) HPGDSMN1; SMN2MAPK10MAPK8MAPK9
SCHEMBL4749594 0.71 SMN1; SMN2 (0.64) HPGDSMN1; SMN2MAPK10NPC1L3MBTL1
SCHEMBL16011480 0.71 PKM (0.57) HPGDSMN1; SMN2MAPK10MAPK8NPC1
SCHEMBL9729949 0.70 CYP3A4 (0.44) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL1039300 0.70 PKM (0.60) HPGDSMN1; SMN2NPC1L3MBTL1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 HPGD 585/4885SMN1; SMN2 2348/4885MAPK10 3200/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 HPGD 1006/4885SMN1; SMN2 3205/4885MAPK10 3561/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 HPGD 585/4885SMN1; SMN2 2348/4885MAPK10 3200/4885

“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.