SCHEMBL2399433

SCHEMBL2399433

COc1ccc2sc(C(=O)O)nc2c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PKM P14618 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
PIM1 P11309 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DYRK1A Q13627 1/20 0.37
TTR P02766 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL2398385 0.81 KMT2A (0.49) KDM4EL3MBTL1POLBTDP1CTDSP1
SCHEMBL2398549 0.81 KMT2A (0.49) KDM4EL3MBTL1POLBTDP1CTDSP1
SCHEMBL2400147 0.80 KMT2A (0.46) KDM4EL3MBTL1POLBTDP1CTDSP1
SCHEMBL3553951 0.79 POLB (0.42) KDM4EL3MBTL1POLBTDP1CTDSP1
SCHEMBL2404157 0.78 GAA (0.49) KDM4EL3MBTL1POLBTDP1KMT2A
SCHEMBL1043301 0.76 DYRK1A (0.61) KDM4EL3MBTL1POLBTDP1KMT2A
SCHEMBL4306213 0.74 KDM4E (0.45) KDM4EL3MBTL1POLBTDP1KMT2A
SCHEMBL31081140 0.73 STING1 (0.59) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL15834222 0.72 TDP1 (0.72) KDM4EL3MBTL1POLBTDP1CTDSP1
SCHEMBL1447280 0.71 PKM (0.56) KDM4EL3MBTL1POLBTDP1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 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 (3 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 KDM4E 723/4885L3MBTL1 3887/4885POLB 1600/4885
US-20100317658-A1 4,7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation And Their Therapeutic Uses CDC25C, CDC25A, CDC25B KDM4E 723/4885L3MBTL1 3887/4885POLB 1600/4885
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B KDM4E 875/4885L3MBTL1 2324/4885POLB 2148/4885

“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.