SCHEMBL562853

SCHEMBL562853

CCCCCc1nc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c(NCCCCS(C)(=O)=O)c1Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.38
TLR7 Q9NYK1 3/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL563260 0.88 TLR7 (0.42) MAPTTLR7MAPK1ALDH1A1SMN1; SMN2
SCHEMBL563105 0.86 EGFR (0.54) EGFRMAPTNPSR1GAAHTT
SCHEMBL563543 0.83 MAPT (0.48) EGFRMAPTNPSR1GAAHTT
SCHEMBL563545 0.82 EGFR (0.51) EGFRMAPTNPSR1GAAHTT
SCHEMBL562499 0.81 MAPT (0.40) EGFRMAPTNPSR1GAAHTT
SCHEMBL563414 0.80 EGFR (0.53) EGFRMAPTNPSR1GAAHTT
SCHEMBL563593 0.80 EGFR (0.45) EGFRMAPTNPSR1GAAHTT
SCHEMBL563155 0.73 PDE4A (0.45) MAPTNPSR1TLR7ALDH1A1SMN1; SMN2
SCHEMBL562962 0.73 TLR7 (0.43) MAPTNPSR1TLR7KDM4EALDH1A1
SCHEMBL563829 0.72 ALDH1A1 (0.44) MAPTNPSR1TLR7MAPK1ALDH1A1

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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
EP-1924581-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS Pfizer, Inc. (US) 2008-05-28 EP disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 EGFR 3412/4885MAPT 4506/4885NPSR1 3304/4885

“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.