SCHEMBL2194075

SCHEMBL2194075

O=[N+]([O-])c1ccc(O)nc1NC1CCSCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.40
MAPT P10636 6/20 0.37
THRB P10828 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GABBR2 O75899 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2193606 0.86 KMT2A (0.50) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL2196597 0.86 KMT2A (0.50) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL2192681 0.85 GSK3A (0.50) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL2194577 0.85 TXNRD1 (0.38) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL2194372 0.85 GSK3A (0.50) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL2195340 0.84 MAPT (0.48) HCAR3MAPTCDK2MEN1KMT2A
SCHEMBL2194981 0.74 MEN1 (0.40) MAPTTHRBMEN1KMT2AMAPK1
SCHEMBL30461716 0.73 MAPT (0.54) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL5742514 0.73 MAPT (0.54) HCAR3MAPTCDK2GSK3AGSK3B
SCHEMBL384627 0.71 GSK3B (0.50) CDK2GSK3AGSK3BMAPK1

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-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
WO-2010030360-A1 3H-IMIDAZO[4,5-b]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-18 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-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS GPR84, GPR119, GPR65 HCAR3 84/4885MAPT 4212/4885THRB 538/4885

“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.