SCHEMBL4867934

SCHEMBL4867934

CN(C)CCNC1=CC(=O)c2nc(-c3cc(F)ccc3F)sc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.63
CDC25B P30305 2/20 0.63
CDC25C P30307 2/20 0.63
MALT1 Q9UDY8 1/20 0.44
PTPN1 P18031 1/20 0.36
RAD52 P43351 2/20 0.35
FLT3 P36888 1/20 0.35
NQO2 P16083 3/20 0.34
CDK4 P11802 1/20 0.34
S100A4 P26447 1/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CDC7 O00311 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NQO1 P15559 1/20 0.32

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
SCHEMBL1917081 0.89 MALT1 (0.55) CDC25ACDC25BCDC25CMALT1S100A4
SCHEMBL1919013 0.85 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1RAD52
SCHEMBL1918014 0.84 CDC25A (0.49) CDC25ACDC25BCDC25CMALT1S100A4
SCHEMBL1917852 0.82 CDC25A (0.51) CDC25ACDC25BCDC25CMALT1RAD52
SCHEMBL1917176 0.82 CDC25A (0.51) CDC25ACDC25BCDC25CMALT1S100A4
SCHEMBL1917124 0.80 CDC25A (0.63) CDC25ACDC25BCDC25CMALT1CDK4
SCHEMBL1917074 0.80 MALT1 (0.52) CDC25ACDC25BCDC25CMALT1S100A4
SCHEMBL1917880 0.79 CDC25A (0.50) CDC25ACDC25BCDC25CMALT1S100A4
SCHEMBL1918571 0.79 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1CDK4
SCHEMBL4865798 0.78 MALT1 (0.53) CDC25ACDC25BCDC25CMALT1PTPN1

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 CDC25A 1/4885CDC25B 3/4885CDC25C 2/4885

“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.