SCHEMBL4868022

SCHEMBL4868022

O=C1C=C(NCCN2CCCC2)C(=O)c2oc(-c3ccc(Br)cc3Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
S100A4 P26447 1/20 0.42
MALT1 Q9UDY8 2/20 0.40
PIM1 P11309 2/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
BLM P54132 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.38

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
SCHEMBL1918052 0.87 ALDH1A1 (0.50) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL1918017 0.85 S100A4 (0.44) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL4868991 0.83 S100A4 (0.43) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL4864662 0.83 CDC25A (0.64) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL1916580 0.83 MALT1 (0.50) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL4860506 0.83 CDC25A (0.42) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL1918074 0.81 CDC25A (0.50) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL1918591 0.81 CDC25A (0.45) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL1917325 0.80 CDC25A (0.53) CDC25ACDC25BCDC25CS100A4MALT1
SCHEMBL1917951 0.80 CDC25A (0.70) CDC25ACDC25BCDC25CS100A4MALT1

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.