SCHEMBL563638

SCHEMBL563638

CCCCCc1cc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.39
KCNH2 Q12809 1/20 0.39
GLS O94925 1/20 0.39
MAPT P10636 2/20 0.38
SYK P43405 1/20 0.37
GPR119 Q8TDV5 5/20 0.37
TGFBR1 P36897 3/20 0.37
THRB P10828 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL562610 0.83 SLC2A1 (0.42) BRD4KDM4ETGFBR1
SCHEMBL563557 0.79 PTGER4 (0.39)
SCHEMBL562158 0.76 STK17B (0.45) BRD4PKMMAPT
SCHEMBL562959 0.76 CNR1 (0.32) KCNH2MAPT
SCHEMBL31037652 0.75 KDM4E (0.50) BRD4KDM4EPKMBCDIN3DGPR119
SCHEMBL29492699 0.74 IDO1 (0.46) BRD4KDM4EPKMIDO1TDO2
SCHEMBL3989909 0.74 IDO1 (0.46) BRD4KDM4EPKMIDO1TDO2
SCHEMBL562970 0.73 SLC2A1 (0.43) BRD4KDM4ETGFBR1
SCHEMBL22943244 0.72 BRD4 (0.51) BRD4KDM4EPKMIDO1TDO2
SCHEMBL31226344 0.72 BRD4 (0.51) BRD4KDM4EPKMIDO1TDO2

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 BRD4 193/4885KDM4E 2230/4885PKM 1945/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 BRD4 224/4885KDM4E 2272/4885PKM 2002/4885

“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.