SCHEMBL563414

SCHEMBL563414

CCCCCc1nc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c(N[C@@H](C)c2ccccc2)c1Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
MAPT P10636 7/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL563105 0.87 EGFR (0.54) EGFRMAPTNPSR1HTTNPC1
SCHEMBL562174 0.86 APP (0.42) EGFRMAPTNPSR1LMNAHPGD
SCHEMBL563545 0.83 EGFR (0.51) EGFRMAPTNPSR1HTTNPC1
SCHEMBL563543 0.82 MAPT (0.48) EGFRMAPTNPSR1HTTNPC1
SCHEMBL562853 0.80 EGFR (0.46) EGFRMAPTNPSR1HTTNPC1
SCHEMBL563593 0.79 EGFR (0.45) EGFRMAPTNPSR1HTTNPC1
SCHEMBL562962 0.74 TLR7 (0.43) MAPTNPSR1HPGDSMN1; SMN2ALDH1A1
SCHEMBL563155 0.72 PDE4A (0.45) MAPTNPSR1SMN1; SMN2ALDH1A1TP53
SCHEMBL562257 0.70 MAPT (0.49) EGFRMAPTNPSR1HTTNPC1
SCHEMBL563165 0.70 PGK1 (0.41) MAPTNPC1GAAMAPK1L3MBTL1

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-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 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 (2 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 EGFR 3495/4885MAPT 4506/4885NPSR1 3082/4885
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.