SCHEMBL2564281

SCHEMBL2564281

CC(C)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.54
KCNH2 Q12809 5/20 0.52
ALDH1A1 P00352 3/20 0.52
EPHX2 P34913 1/20 0.51
PTGS2 P35354 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13251238 0.92 MAPT (0.58) MAPTGAACRHBPCRHR2L3MBTL1
SCHEMBL8117366 0.89 MAPT (0.65) TDP1MAPTGAACRHBPCRHR2
SCHEMBL6138558 0.87 MAPT (0.57) MAPTGAACRHBPCRHR2L3MBTL1
SCHEMBL21104434 0.87 MAPT (0.53) MAPTGAACRHBPCRHR2L3MBTL1
SCHEMBL21104158 0.87 MAPT (0.53) MAPTGAACRHBPCRHR2L3MBTL1
SCHEMBL5141282 0.83 MAPT (0.53) MAPTGAACRHBPCRHR2L3MBTL1
SCHEMBL6228523 0.83 MAPT (0.65) MAPTGAAL3MBTL1KCNH2ALDH1A1
SCHEMBL27882210 0.83 MAPT (0.56) TDP1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL3045885 0.82 MAPT (0.68) MAPTGAACRHBPCRHR2KCNH2
SCHEMBL9482551 0.82 MAPT (0.59) TDP1MAPTGAACRHBPCRHR2

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-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20080227858-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED 2008-09-18 US disclosed
US-20080227858-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED 2008-09-18 US disclosed
US-7375248-B2 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2008-05-20 US disclosed
US-7375248-B2 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2008-05-20 US disclosed
US-20060142385-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2006-06-29 US disclosed
EP-1636174-A1 INHIBITORS OF MATRIX METALLOPROTEINASE GLAXO GROUP LIMITED (GB) 2006-03-22 EP disclosed
WO-2004113279-A1 INHIBITORS OF MATRIX METALLOPROTEINASE GLAXO GROUP LIMITED (GB) 2004-12-29 WO disclosed
WO-2004113279-A1 INHIBITORS OF MATRIX METALLOPROTEINASE GLAXO GROUP LIMITED (GB) 2004-12-29 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 (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-20060142385-A1 Inhibitors of matrix metalloproteinase MMP9, MMP13, MMP26 TDP1 4680/4885MAPT 4758/4885GAA 1204/4885
US-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES TDP1 3961/4885MAPT 2366/4885GAA 3631/4885
US-20080227858-A1 Inhibitors of matrix metalloproteinase MMP9, MMP13, MMP2 TDP1 4650/4885MAPT 4758/4885GAA 1082/4885

“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.