SCHEMBL4890326

SCHEMBL4890326

COC(=O)/C(=C\c1ccncc1[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 3/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 3/20 0.34
GSTP1 P09211 1/20 0.34
GSTM2 P28161 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 1/20 0.33
NAMPT P43490 1/20 0.33
LATS1 O95835 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8274206 1.00 MAPT (0.43) MAPTNPSR1GAAHTTRAB9A
SCHEMBL4890329 1.00 MAPT (0.43) MAPTNPSR1GAAHTTRAB9A
SCHEMBL13878881 0.84 MAPT (0.62) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL14280760 0.84 MAPT (0.46) MAPTNPSR1GAAHTTRAB9A
SCHEMBL14602205 0.84 MAPT (0.62) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL6505994 0.84 RAB9A (0.35) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL31178934 0.82 HASPIN (0.37) MAPTNPSR1RAB9AKMT2AMEN1
SCHEMBL4072165 0.80 MAPT (0.43) MAPTNPSR1HTTRAB9AKMT2A
SCHEMBL4072166 0.80 MAPT (0.43) MAPTNPSR1HTTRAB9AKMT2A
SCHEMBL13878888 0.80 MAPT (0.43) MAPTNPSR1HTTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 EP disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 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 (2 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 MAPT 2971/4885NPSR1 1571/4885GAA 96/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 MAPT 4846/4885NPSR1 2433/4885GAA 2573/4885

“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.