SCHEMBL3576209

SCHEMBL3576209

O=[N+]([O-])c1ccc(Oc2nccc3cc[nH]c23)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.46
TRPA1 O75762 6/20 0.44
HSPB1 P04792 5/20 0.44
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
BACE1 P56817 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.35
PIN1 Q13526 1/20 0.35

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
SCHEMBL3573708 0.81 TRPA1 (0.44) S1PR4TRPA1HSPB1BRD4ALDH1A1
SCHEMBL3621081 0.80 HSPB1 (0.47) S1PR4TRPA1HSPB1BRD4ALDH1A1
SCHEMBL3575836 0.79 TRPA1 (0.48) TRPA1BRD4
SCHEMBL3567745 0.77 S1PR4 (0.46) S1PR4TRPA1HSPB1ALDH1A1MAPT
SCHEMBL4249568 0.75 MET (0.55) HSPB1MET
SCHEMBL29631514 0.75 MET (0.55) HSPB1MET
SCHEMBL2198300 0.74 TRPA1 (0.68) S1PR4TRPA1HSPB1MAPTMET
SCHEMBL27682436 0.74 HSPB1 (0.53) S1PR4HSPB1BRD4ALDH1A1MAPT
SCHEMBL27840978 0.72 HSPB1 (0.55) S1PR4TRPA1HSPB1ALDH1A1MAPT
SCHEMBL1136784 0.72 HSPB1 (0.54) S1PR4HSPB1ALDH1A1MAPTMAPK1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 EP disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
EP-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed
EP-1781664-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2007-05-09 EP disclosed
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. 2006-12-21 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 US disclosed
WO-2006010264-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2006-02-02 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 (3 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 S1PR4 732/4885TRPA1 4169/4885HSPB1 2247/4885
US-20060287343-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, FLT1 S1PR4 732/4885TRPA1 4169/4885HSPB1 2247/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 S1PR4 732/4885TRPA1 4169/4885HSPB1 2247/4885

“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.