SCHEMBL4869014

SCHEMBL4869014

COc1cc(-c2nc3c(o2)C(=O)C(NCCN2CCCC2)=CC3=O)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
CDC25C P30307 1/20 0.41
TERT O14746 3/20 0.40
S100A4 P26447 1/20 0.39
RAD52 P43351 1/20 0.39
PGK1 P00558 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT5A Q9NQR1 1/20 0.37
MALT1 Q9UDY8 2/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC29A1 Q99808 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4867758 0.90 RAD52 (0.47) CDC25ACDC25BCDC25CS100A4RAD52
SCHEMBL1917120 0.84 CDC25A (0.48) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL4864928 0.84 CDC25A (0.58) SMN1; SMN2CDC25ACDC25BCDC25CALDH1A1
SCHEMBL4860506 0.84 CDC25A (0.42) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL1916992 0.83 CDC25A (0.48) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL1917840 0.80 MEN1 (0.45) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL1917890 0.80 CDC25A (0.51) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL1918017 0.80 S100A4 (0.44) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL4862381 0.79 CDC25A (0.42) SMN1; SMN2CDC25ACDC25BCDC25CS100A4
SCHEMBL1917546 0.79 CDC25A (0.49) SMN1; SMN2CDC25ACDC25BCDC25CS100A4

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 8 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
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 claimed
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 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 SMN1; SMN2 4811/4885CDC25A 1/4885CDC25B 3/4885

“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.