SCHEMBL5368759

SCHEMBL5368759

COC(=O)c1sc(-c2ccccc2)cc1NC(C)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 4/20 1.00
LMNA P02545 3/20 1.00
HPGD P15428 4/20 0.76
HTT P42858 2/20 0.70
ATM Q13315 1/20 0.70
TP53 P04637 2/20 0.66
POLB P06746 1/20 0.66
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
PPARG P37231 1/20 0.62
NCOA2 Q15596 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPSR1 Q6W5P4 3/20 0.60
MAPK1 P28482 1/20 0.58
GFER P55789 1/20 0.58
KMT2A Q03164 2/20 0.57
IKBKB O14920 1/20 0.57

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
SCHEMBL7057264 0.89 MAPT (0.80) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL5361893 0.87 KDM4E (0.79) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL5363009 0.87 KDM4E (0.78) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2157496 0.87 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL7057270 0.86 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL24131783 0.84 MAPT (0.72) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2158351 0.83 MAPT (0.71) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2158542 0.83 KDM4E (0.85) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL5036820 0.82 MAPT (0.69) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL2157551 0.82 KDM4E (0.69) MAPTKDM4EALDH1A1LMNAHPGD

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 MAPT 1914/4885KDM4E 1626/4885ALDH1A1 712/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 MAPT 1038/4885KDM4E 1615/4885ALDH1A1 432/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 MAPT 1914/4885KDM4E 1626/4885ALDH1A1 712/4885

“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.