SCHEMBL3507482

SCHEMBL3507482

CC(C)(C)NC(=O)c1cccc(Cn2ncc3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.47
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
EPHX2 P34913 2/20 0.44
PPARG P37231 2/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
F10 P00742 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PAX8 Q06710 1/20 0.40
KLF5 Q13887 1/20 0.40

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
SCHEMBL3510164 0.85 GLS (0.50) GLSMAPTEPHX2PPARGALDH1A1
SCHEMBL3506368 0.85 GLS (0.54) GLSNPSR1ALDH1A1LMNAPOLB
SCHEMBL3505961 0.84 EPHX2 (0.47) MAPTNPSR1EPHX2PPARGHPGD
SCHEMBL3508034 0.82 PPARG (0.49) MAPTEPHX2PPARGALDH1A1LMNA
SCHEMBL1728790 0.78 GLS (0.64) GLSMAPTALDH1A1L3MBTL1
SCHEMBL30729901 0.77 GLS (0.57) GLSMAPTEPHX2PPARGKMT2A
SCHEMBL217553 0.77 GLS (0.57) GLSMAPTEPHX2PPARGKMT2A
SCHEMBL3376313 0.77 GLS (0.54) GLSMAPTEPHX2PPARGALDH1A1
SCHEMBL11002083 0.75 GLS (0.67) GLSMAPTLMNAKMT2AMEN1
SCHEMBL29377015 0.74 GLS (0.58) GLSMAPTNPSR1ALDH1A1GAA

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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 GLS 3189/4885MAPT 4440/4885NPSR1 261/4885

“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.