SCHEMBL5086180

SCHEMBL5086180

Nc1c2c(nc3ccccc13)C(O)C(O)C(O)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.55
BCHE P06276 6/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CHRM2 P08172 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM1 P11229 2/20 0.44
SLC6A2 P23975 2/20 0.44
OPRM1 P35372 2/20 0.44
KCNH2 Q12809 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
NQO2 P16083 1/20 0.44
MAOA P21397 1/20 0.44
DRD1 P21728 1/20 0.44
CASP1 P29466 1/20 0.44
ADRA1A P35348 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL4780466 0.79 ACHE (0.66) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL4782557 0.75 ACHE (0.53) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL10654315 0.73 ACHE (0.62) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL9547692 0.71 ACHE (1.00) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL10470175 0.70 ACHE (0.61) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL9165440 0.70 ACHE (0.50) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL8781795 0.68 ACHE (0.62) ACHEBCHEALDH1A1HSD17B10KDM4E
7-Hydroxytacrine SCHEMBL9547668 0.68 ACHE (1.00) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL9547653 0.68 ACHE (1.00) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL10620451 0.67 ACHE (0.61) ACHEBCHEALDH1A1HSD17B10KDM4E

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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0589900-A1 ALZHEIMER'S DISEASE TREATMENT WITH TACRINE METABOLITES INSTITUTE OF PSYCHIATRY (GB) 1994-04-06 EP disclosed
WO-1992022534-A1 ALZHEIMER'S DISEASE TREATMENT WITH TACRINE METABOLITES MARCHBANKS ROGER MICHAEL (GB) 1992-12-23 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN ACHE 16/4885BCHE 29/4885ALDH1A1 2348/4885

“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.