SCHEMBL1653100

SCHEMBL1653100

O=C(NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG2 P16885 2/20 0.69
APEX1 P27695 1/20 0.56
MAPT P10636 3/20 0.52
MAPK1 P28482 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.48
HRH4 Q9H3N8 1/20 0.44
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
XDH P47989 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 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
SCHEMBL18568963 0.82 PLCG2 (0.46) PLCG2MAPTALDH1A1KIF11HDAC3
SCHEMBL2304168 0.82 PLCG2 (1.00) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL18568962 0.80 PLCG2 (0.44) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL1654000 0.79 PLCG2 (0.48) PLCG2MAPTNPC1RAB9ATHRB
SCHEMBL1654795 0.77 PLCG2 (0.42) PLCG2MAPTNPC1RAB9ALMNA
SCHEMBL27964638 0.76 PLCG2 (0.64) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL6215530 0.76 APEX1 (0.70) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL7993493 0.76 PLCG2 (0.67) PLCG2APEX1MAPTMAPK1NPC1
SCHEMBL1653315 0.76 PLCG2 (0.40) PLCG2MAPTALDH1A1LMNAKIF11
SCHEMBL18568977 0.74 PLCG2 (0.39) PLCG2MAPTNPC1RAB9AALDH1A1

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 11 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
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 PLCG2 2821/4885APEX1 4543/4885MAPT 4377/4885

“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.