SCHEMBL2194372

SCHEMBL2194372

O=[N+]([O-])c1ccc(O)nc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
HCAR3 P49019 3/20 0.41
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
CDK2 P24941 3/20 0.38
CCNE1 P24864 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL2192681 1.00 GSK3A (0.50) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL2196597 0.87 KMT2A (0.50) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL2193606 0.87 KMT2A (0.50) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL2194577 0.86 TXNRD1 (0.38) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL2194075 0.85 HCAR3 (0.40) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL2196077 0.85 MAPT (0.51) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL2196085 0.85 MAPT (0.51) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL5806595 0.77 GSK3B (0.74) GSK3AGSK3BCDK2MAPK8
SCHEMBL5742514 0.77 MAPT (0.54) GSK3AGSK3BHCAR3MAPTMAPK1
SCHEMBL30461716 0.77 MAPT (0.54) GSK3AGSK3BHCAR3MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507473-B2 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders ARENA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-07-14 US 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-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS GPR84, GPR119, GPR65 GSK3A 2369/4885GSK3B 2274/4885HCAR3 84/4885

“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.