SCHEMBL4867758

SCHEMBL4867758

COc1ccc(-c2nc3c(o2)C(=O)C(NCCN2CCCC2)=CC3=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
PGK1 P00558 1/20 0.42
MAPT P10636 3/20 0.40
S100A4 P26447 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LCK P06239 1/20 0.40
TNK2 Q07912 1/20 0.40
PI4KB Q9UBF8 1/20 0.39
LRRK2 Q5S007 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
SCHEMBL4869014 0.90 SMN1; SMN2 (0.41) RAD52ALDH1A1HPGDHSD17B10CDC25A
SCHEMBL1917654 0.84 CDC25A (0.60) RAD52ALDH1A1HPGDHSD17B10CDC25A
SCHEMBL4862381 0.84 CDC25A (0.42) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL1917546 0.84 CDC25A (0.49) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL1917840 0.83 MEN1 (0.45) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL1918017 0.83 S100A4 (0.44) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL1917890 0.83 CDC25A (0.51) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL4869494 0.83 ACHE (0.48) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL4865709 0.81 CDC25A (0.44) ALDH1A1HPGDHSD17B10L3MBTL1CDC25A
SCHEMBL4868991 0.81 S100A4 (0.43) RAD52ALDH1A1HPGDHSD17B10L3MBTL1

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-7335674-B2 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2008-02-26 US claimed
US-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof IPSEN PHARMA S.A.S. (FR) 2006-06-22 US claimed
US-7335674-B2 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2008-02-26 US disclosed
US-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof IPSEN PHARMA S.A.S. (FR) 2006-06-22 US disclosed
EP-1641789-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-04-05 EP disclosed
WO-2005000843-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-01-06 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-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof CDC25A, CDC25C, CDC25B RAD52 2338/4885ALDH1A1 1327/4885HPGD 1962/4885

“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.