SCHEMBL5363009

SCHEMBL5363009

COC(=O)c1sc(-c2ccc(C)cc2)cc1NC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.78
MAPT P10636 5/20 0.78
ALDH1A1 P00352 3/20 0.78
LMNA P02545 2/20 0.78
HPGD P15428 3/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
PPARG P37231 1/20 0.67
NCOA2 Q15596 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NPSR1 Q6W5P4 3/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
MAPK1 P28482 1/20 0.54
TP53 P04637 2/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL5361893 0.89 KDM4E (0.79) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL5368759 0.87 MAPT (1.00) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL5370617 0.78 MAPT (0.76) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL23012335 0.77 ALDH1A1 (0.60) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL1458598 0.76 KDM4E (0.47) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL7057264 0.76 MAPT (0.80) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL1563671 0.76 NPSR1 (0.70) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL7054758 0.76 KDM4E (0.70) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL23452054 0.75 KDM4E (0.61) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL7057270 0.74 MAPT (0.76) KDM4EMAPTALDH1A1LMNAHPGD

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