SCHEMBL3544254

SCHEMBL3544254

COc1ccc2sc(C(=O)NCCOCCNC(=O)c3nc4c(N)c(OC)ccc4s3)nc2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM4 P08173 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MTOR P42345 1/20 0.38
ALOX15 P16050 1/20 0.37
TP53 P04637 1/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 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
SCHEMBL3553951 0.84 POLB (0.42) MAOBCYP1A2CHRM4KMT2AMEN1
SCHEMBL2398989 0.68 HPGD (0.47) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL2762212 0.68 MEN1 (0.61) CHRM4KMT2AMEN1KDM4EMAPT
SCHEMBL3550658 0.66 IDO1 (0.38) MAOBSMN1; SMN2ALOX15TP53ALDH1A1
SCHEMBL2761988 0.66 CHRM4 (0.56) CHRM4KMT2AMEN1KDM4EMAPT
SCHEMBL3050836 0.65 TUBB4A (0.42) MAOBCYP1A2KMT2AMEN1KDM4E
SCHEMBL29360873 0.64 SMN1; SMN2 (0.42) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL15842319 0.64 SMN1; SMN2 (0.42) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL15641580 0.64 SMN1; SMN2 (0.42) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL12893481 0.62 TP53 (0.53) KMT2AMEN1HTTSMN1; SMN2TP53

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 3 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 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
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 MAOB 1447/4885CYP1A2 2970/4885CHRM4 4460/4885
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses CDC25C, CDC25A, CDC25B MAOB 1447/4885CYP1A2 2970/4885CHRM4 4460/4885

“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.