SCHEMBL1653231

SCHEMBL1653231

O=C(NCCBr)c1cc2cccc(NS(=O)(=O)c3cccs3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.43
RELA Q04206 1/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.40
BRAF P15056 1/20 0.40
BCL2 P10415 1/20 0.39
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL1653473 0.86 NFKBIA (0.47) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1653494 0.85 ALDH1A1 (0.43) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL13348358 0.84 ALDH1A1 (0.48) ALDH1A1GAAMEN1KMT2AHTT
SCHEMBL1654448 0.83 NFKBIA (0.50) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1653059 0.82 NFKBIA (0.49) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1653173 0.82 ALDH1A1 (0.49) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1653963 0.82 ALDH1A1 (0.45) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1654143 0.81 ALDH1A1 (0.43) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1654466 0.79 NFKBIA (0.48) NFKBIARELAGLO1ALDH1A1GAA
SCHEMBL1653948 0.79 ALDH1A1 (0.52) NFKBIARELAGLO1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 NFKBIA 812/4885RELA 700/4885GLO1 72/4885

“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.