SCHEMBL3552597

SCHEMBL3552597

O=C1C(NCCC2CCCCC2)=CC(=O)c2sc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 2/20 0.39
FASN P49327 2/20 0.38
HTT P42858 1/20 0.37
NPY5R Q15761 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 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
SCHEMBL3550519 0.88 CDC25A (0.49) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL3549221 0.88 KMT2A (0.40) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL2399858 0.87 ALDH1A1 (0.40) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL3550580 0.85 ALDH1A1 (0.39) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL3547560 0.84 KDM4E (0.45) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL2400338 0.81 CDC25A (0.44) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL3547852 0.77 MALT1 (0.49) ALDH1A1NPSR1KDM4ETSHRFASN
SCHEMBL3547580 0.77 ALDH1A1 (0.45) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL2399861 0.76 ALDH1A1 (0.40) ALDH1A1NPSR1KDM4ETSHRHSD17B10
SCHEMBL3552014 0.73 RECQL (0.38) ALDH1A1NPSR1NPY5RKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2010-12-16 US claimed
US-7795284-B2 4,7-dioxobenzothiazole-2-carboxamide derivatives, their preparation and their therapeutic uses IPSEN PHARMA S.A.S. (FR) 2010-09-14 US claimed
EP-1814879-B1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOD CONSEILS RECH APPLIC (FR) 2008-09-24 EP claimed
US-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2007-10-18 US claimed
EP-1814879-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2007-08-08 EP claimed
WO-2006051202-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-05-18 WO claimed
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2010-12-16 US disclosed
US-7795284-B2 4,7-dioxobenzothiazole-2-carboxamide derivatives, their preparation and their therapeutic uses IPSEN PHARMA S.A.S. (FR) 2010-09-14 US disclosed
EP-1814879-B1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOD CONSEILS RECH APPLIC (FR) 2008-09-24 EP disclosed
US-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2007-10-18 US 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 (2 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-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses CDC25C, CDC25A, CDC25B ALDH1A1 2011/4885NPSR1 3944/4885KDM4E 723/4885
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses CDC25C, CDC25A, CDC25B ALDH1A1 2011/4885NPSR1 3944/4885KDM4E 723/4885

“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.