SCHEMBL2195340

SCHEMBL2195340

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GSR P00390 3/20 0.44
TXNRD1 Q16881 3/20 0.44
HTT P42858 1/20 0.42
FGFR4 P22455 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR3 P49019 3/20 0.37
CDK2 P24941 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MERTK Q12866 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5742514 0.90 MAPT (0.54) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL30461716 0.90 MAPT (0.54) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL16060682 0.87 MAPT (0.51) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL22411263 0.87 GSR (0.53) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL29363127 0.87 GSR (0.53) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2195964 0.86 GSR (0.52) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2195050 0.85 MAPT (0.49) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2196085 0.84 MAPT (0.51) MAPTGSRTXNRD1HTTFGFR4
SCHEMBL2194075 0.84 HCAR3 (0.40) MAPTHTTTDP1POLBL3MBTL1
SCHEMBL13905693 0.84 MAPT (0.48) MAPTGSRTXNRD1HTTFGFR4

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 MAPT 4212/4885GSR 2160/4885TXNRD1 1731/4885

“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.