SCHEMBL4780466

SCHEMBL4780466

Nc1c2c(nc3ccccc13)C(O)C(O)CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.66
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
KCNH2 Q12809 2/20 0.48
CYP2C9 P11712 1/20 0.48
NR3C1 P04150 1/20 0.48
BCHE P06276 6/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2D6 P10635 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CACNB4 O00305 1/20 0.48
CACNA1A O00555 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
ABCC4 O15439 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNG3 O60359 1/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1H O95180 1/20 0.48

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
SCHEMBL9547692 0.79 ACHE (1.00) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL5086180 0.79 ACHE (0.55) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10620451 0.79 ACHE (0.61) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL5083430 0.77 ACHE (0.66) ACHETSHRALDH1A1CYP1A2KCNH2
7-Hydroxytacrine SCHEMBL9547668 0.73 ACHE (1.00) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL8781795 0.71 ACHE (0.62) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL9547653 0.71 ACHE (1.00) ACHETSHRALDH1A1CYP1A2KCNH2
Hydrochloric Acid SCHEMBL9547702 0.70 ACHE (0.97) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL10654276 0.70 ACHE (0.53) ACHETSHRALDH1A1CYP1A2KCNH2
SCHEMBL4782557 0.69 ACHE (0.53) ACHETSHRALDH1A1CYP1A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
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 16/4885TSHR 4669/4885ALDH1A1 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.