SCHEMBL2194577

SCHEMBL2194577

O=[N+]([O-])c1ccc(O)nc1NC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.38
MAPT P10636 4/20 0.38
HCAR3 P49019 3/20 0.38
PKM P14618 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LRRK2 Q5S007 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MAPK1 P28482 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GABBR2 O75899 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
SCHEMBL2193606 0.87 KMT2A (0.50) MAPTHCAR3CDK2MEN1KMT2A
SCHEMBL2196597 0.87 KMT2A (0.50) MAPTHCAR3CDK2MEN1KMT2A
SCHEMBL2192681 0.86 GSK3A (0.50) MAPTHCAR3CDK2MEN1KMT2A
SCHEMBL2194372 0.86 GSK3A (0.50) MAPTHCAR3CDK2MEN1KMT2A
SCHEMBL2194075 0.85 HCAR3 (0.40) MAPTHCAR3CDK2MEN1KMT2A
SCHEMBL2195050 0.83 MAPT (0.49) TXNRD1MAPTCDK2MEN1KMT2A
SCHEMBL12540474 0.77 TXNRD1 (0.37) TXNRD1MAPTHCAR3CDK2MEN1
SCHEMBL2195492 0.77 MAPK1 (0.40) LRRK2MAPK1JAK2JAK1HDAC3
SCHEMBL2194981 0.75 MEN1 (0.40) TXNRD1MAPTMEN1KMT2AMAPK1
SCHEMBL16059609 0.75 MAPT (0.47) TXNRD1MAPTPKMMAPK1CYP1A2

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 TXNRD1 1731/4885MAPT 4212/4885HCAR3 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.