SCHEMBL562852

SCHEMBL562852

CCOCCc1cc(O)c([N+](=O)[O-])c(O)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.35
MEN1 O00255 8/20 0.35
POLB P06746 3/20 0.34
COMT P21964 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
GFER P55789 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
MYC P01106 1/20 0.30

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
SCHEMBL563635 0.80 GPR84 (0.39)
SCHEMBL4360081 0.77 PKM (0.38) KMT2AMEN1POLBCOMTALDH1A1
SCHEMBL563655 0.76 ALDH1A1 (0.39) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL4519825 0.70 CTSB (0.40) KMT2AMEN1POLBALDH1A1ALPL
SCHEMBL30594978 0.70 CTSB (0.40) KMT2AMEN1POLBALDH1A1ALPL
SCHEMBL563574 0.69 MYC (0.32) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL2571631 0.64 HSP90AA1 (0.36) KMT2AMEN1POLBALDH1A1ALPL
Ether SCHEMBL28107050 0.64 GPR35 (0.51) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL17584798 0.63 MAPT (0.41) KMT2AMEN1POLBCOMTALDH1A1
SCHEMBL30594994 0.62 CTSB (0.39) KMT2AMEN1ALDH1A1TDP1

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 4 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
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 (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 KMT2A 3563/4885MEN1 3944/4885POLB 1931/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 KMT2A 3668/4885MEN1 3860/4885POLB 1941/4885

“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.