SCHEMBL563635

SCHEMBL563635

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.39
KCNH2 Q12809 1/20 0.37
ESR1 P03372 1/20 0.35
RIPK1 Q13546 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL562852 0.80 KMT2A (0.35)
SCHEMBL4360081 0.76 PKM (0.38) ESR1
SCHEMBL562804 0.75 ALDH1A1 (0.41) GPR84KCNH2
SCHEMBL30594978 0.72 CTSB (0.40) ESR1CYP3A4
SCHEMBL4519825 0.72 CTSB (0.40) ESR1CYP3A4
SCHEMBL11238635 0.71 KCNH2 (0.38) GPR84KCNH2
SCHEMBL7078053 0.70 ELANE (0.58) GPR84
SCHEMBL17584798 0.68 MAPT (0.41) ESR1TRPV1PTGS2
SCHEMBL704920 0.67 PTGS2 (0.52) GPR84KCNH2ESR1CYP3A4PTGS2
SCHEMBL28465048 0.67 BID (0.54) PTGS2

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 GPR84 1348/4885KCNH2 3737/4885ESR1 4591/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 GPR84 1401/4885KCNH2 3811/4885ESR1 4588/4885

“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.