SCHEMBL6744004

SCHEMBL6744004

CN(N)C(CO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.55
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
TRPA1 O75762 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41

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
Maleic Acid SCHEMBL27576540 0.88 AOC3 (0.45) AOC3GAAKDM4EALDH1A1
SCHEMBL817422 0.83 KDM4E (0.52) AOC3GAAKDM4EALDH1A1HTR2A
SCHEMBL1205734 0.83 KDM4E (0.52) AOC3GAAKDM4EALDH1A1HTR2A
SCHEMBL1206432 0.83 KDM4E (0.52) AOC3GAAKDM4EALDH1A1HTR2A
SCHEMBL4202700 0.79 KDM4E (0.44) AOC3KDM4EALDH1A1HTR2AHRH1
SCHEMBL10007040 0.78 TRPA1 (0.43) AOC3KDM4EALDH1A1HTR2AHRH1
SCHEMBL28794563 0.78 KDM4E (0.47) AOC3KDM4EALDH1A1HTR2AHRH1
SCHEMBL14018422 0.78 KDM4E (0.47) AOC3KDM4EALDH1A1HTR2AHRH1
SCHEMBL16333187 0.76 GAA (0.46) GAAKDM4EALDH1A1HTR2AHRH1
SCHEMBL11393827 0.76 KDM4E (0.46) AOC3KDM4EALDH1A1HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106654-A1 Inhibitors of copper-containing amine oxidases SMITH DAVID JOHN (FI) 2004-06-03 US claimed
EP-1313718-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES Biotie Therapies Corp. (FI) 2003-05-28 EP claimed
US-20020173521-A1 Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2002-11-21 US claimed
WO-2002002090-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP. (FI) 2002-01-10 WO claimed
US-20040106654-A1 Inhibitors of copper-containing amine oxidases SMITH DAVID JOHN (FI) 2004-06-03 US disclosed
US-6624202-B2 Antiinflammatory agents; antiarthritic agents; skin disorders BIOTIE THERAPIES CORP. (FI) 2003-09-23 US disclosed
EP-1313718-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES Biotie Therapies Corp. (FI) 2003-05-28 EP disclosed
US-20020173521-A1 Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2002-11-21 US disclosed
WO-2002002090-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP. (FI) 2002-01-10 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-20040106654-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 AOC3 2/4885GAA 851/4885KDM4E 1735/4885
US-20020173521-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 AOC3 2/4885GAA 851/4885KDM4E 1735/4885

“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.