SCHEMBL4865657

SCHEMBL4865657

CN(C)CCNC1=CC(=O)c2nc(-c3ccc(-c4ccccc4)cc3)sc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.52
CDC25B P30305 2/20 0.52
CDC25C P30307 2/20 0.52
MALT1 Q9UDY8 1/20 0.50
TLR9 Q9NR96 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
SLC2A1 P11166 1/20 0.40
ACP1 P24666 2/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAPK14 Q16539 1/20 0.37
POLB P06746 2/20 0.36
RAD52 P43351 2/20 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
SCHEMBL1919013 0.89 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1IDO1
SCHEMBL1918571 0.89 CDC25A (0.52) CDC25ACDC25BCDC25CMALT1PTGS2
SCHEMBL4859113 0.88 CDC25A (0.49) CDC25ACDC25BCDC25CMALT1IDO1
SCHEMBL4865048 0.85 CDC25B (0.48) CDC25ACDC25BCDC25CMALT1IDO1
SCHEMBL1917081 0.83 MALT1 (0.55) CDC25ACDC25BCDC25CMALT1IDO1
SCHEMBL4865798 0.82 MALT1 (0.53) CDC25ACDC25BCDC25CMALT1IDO1
SCHEMBL1917176 0.81 CDC25A (0.51) CDC25ACDC25BCDC25CMALT1IDO1
SCHEMBL1917852 0.81 CDC25A (0.51) CDC25ACDC25BCDC25CMALT1KDM4E
SCHEMBL1917074 0.81 MALT1 (0.52) CDC25ACDC25BCDC25CMALT1KDM4E
SCHEMBL1917004 0.80 CDC25A (0.64) CDC25ACDC25BCDC25CMALT1PTGS2

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 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.