SCHEMBL562804

SCHEMBL562804

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KCNH2 Q12809 2/20 0.38
VCAM1 P19320 2/20 0.36
GSR P00390 2/20 0.36
TXNRD1 Q16881 2/20 0.36
CNR2 P34972 1/20 0.35
PGK1 P00558 1/20 0.35
NOS2 P35228 1/20 0.34
GPR84 Q9NQS5 4/20 0.34
TLR7 Q9NYK1 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL11798967 0.89 ALDH1A1 (0.44) ALDH1A1TSHRPGK1NOS2TLR7
SCHEMBL11238635 0.87 KCNH2 (0.38) ALDH1A1TSHRKCNH2VCAM1GSR
SCHEMBL10393711 0.82 ALDH1A1 (0.47) ALDH1A1TSHRPGK1TLR7
SCHEMBL563655 0.79 ALDH1A1 (0.39) ALDH1A1TSHRPGK1
SCHEMBL10504960 0.77 ALDH1A1 (0.42) ALDH1A1TSHRPGK1
SCHEMBL562959 0.76 CNR1 (0.32) ALDH1A1KCNH2CNR2TLR7
SCHEMBL13274268 0.76 ALDH1A1 (0.47) ALDH1A1TSHRPGK1
SCHEMBL562979 0.75 PLK1 (0.44) ALDH1A1TLR7
SCHEMBL4357349 0.75 ALDH1A1 (0.43) ALDH1A1TSHRPGK1
SCHEMBL563635 0.75 GPR84 (0.39) KCNH2GPR84

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 ALDH1A1 598/4885TSHR 2638/4885KCNH2 3737/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 ALDH1A1 623/4885TSHR 2690/4885KCNH2 3811/4885

“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.