SCHEMBL4861225

SCHEMBL4861225

O=C1C(NCCN2CCCC2)=CC(=O)c2oc(-c3cccc(Br)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
S100A4 P26447 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
RAD52 P43351 1/20 0.36
GAA P10253 2/20 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
SCHEMBL4868991 0.93 S100A4 (0.43) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1917636 0.88 MALT1 (0.42) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1918348 0.83 MALT1 (0.50) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4860506 0.82 CDC25A (0.42) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1917778 0.82 CDC25A (0.51) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1917829 0.82 MAPK1 (0.48) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1918547 0.82 S100A4 (0.41) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1917587 0.82 CDC25A (0.39) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1917166 0.82 MALT1 (0.46) MALT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1917171 0.81 CDC25A (0.41) MALT1ALDH1A1KDM4EHPGDHSD17B10

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 2260/4885ALDH1A1 1327/4885KDM4E 220/4885

“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.