SCHEMBL563626

SCHEMBL563626

CCCCCc1cc(C(N)Cc2ccccc2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
CSNK1E P49674 1/20 0.34
PIN1 Q13526 2/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
S1PR1 P21453 1/20 0.32

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
SCHEMBL562979 0.76 PLK1 (0.44) TLR7LMNAALDH1A1GAAMAPT
SCHEMBL563625 0.75 CCNC (0.44) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL562804 0.74 ALDH1A1 (0.41) TLR7ALDH1A1CNR2KCNH2
SCHEMBL563066 0.72 CRHBP (0.44) ALDH1A1GAAMAPTHTT
SCHEMBL562914 0.68 CDK5 (0.48) LMNAALDH1A1GAAMAPT
SCHEMBL11238635 0.66 KCNH2 (0.38) ALDH1A1MAPTKCNH2
SCHEMBL8600211 0.65 ALDH1A1 (0.55) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL11798967 0.64 ALDH1A1 (0.44) TLR7LMNAALDH1A1MAPTHTT
SCHEMBL562959 0.64 CNR1 (0.32) TLR7LMNAALDH1A1MAPTMEN1
SCHEMBL17315589 0.63 TLR8 (0.43) TLR7CSNK1EKCNH2

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 CYP19A1 3709/4885TLR7 210/4885DCTPP1 2571/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 CYP19A1 3607/4885TLR7 231/4885DCTPP1 2486/4885

“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.