SCHEMBL4865798

SCHEMBL4865798

CN(C)CCNC1=CC(=O)c2nc(-c3cccc4ccccc34)sc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.53
CDC25A P30304 2/20 0.49
CDC25B P30305 2/20 0.49
CDC25C P30307 2/20 0.49
HTR2C P28335 4/20 0.40
IDO1 P14902 3/20 0.40
S100A4 P26447 1/20 0.39
TDO2 P48775 1/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
APAF1 O14727 1/20 0.37
PTPN1 P18031 1/20 0.36
ACP1 P24666 1/20 0.36
TOP1 P11387 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 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
SCHEMBL1917081 0.87 MALT1 (0.55) MALT1CDC25ACDC25BCDC25CIDO1
SCHEMBL1917074 0.84 MALT1 (0.52) MALT1CDC25ACDC25BCDC25CS100A4
SCHEMBL4865657 0.82 CDC25A (0.52) MALT1CDC25ACDC25BCDC25CIDO1
SCHEMBL4859113 0.81 CDC25A (0.49) MALT1CDC25ACDC25BCDC25CIDO1
SCHEMBL1917852 0.81 CDC25A (0.51) MALT1CDC25ACDC25BCDC25CHTR2C
SCHEMBL1917124 0.79 CDC25A (0.63) MALT1CDC25ACDC25BCDC25CIDO1
SCHEMBL4867934 0.78 CDC25A (0.63) MALT1CDC25ACDC25BCDC25CS100A4
SCHEMBL1917880 0.78 CDC25A (0.50) MALT1CDC25ACDC25BCDC25CS100A4
SCHEMBL1919013 0.78 CDC25A (0.52) MALT1CDC25ACDC25BCDC25CIDO1
SCHEMBL1918571 0.78 CDC25A (0.52) MALT1CDC25ACDC25BCDC25CALDH1A1

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 MALT1 2260/4885CDC25A 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.