SCHEMBL4022732

SCHEMBL4022732

COC(=O)c1cc(F)cc([N+](=O)[O-])c1-c1c(C(=O)OC)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
SIRT6 Q8N6T7 1/20 0.43
VCAM1 P19320 1/20 0.41
TTR P02766 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
KCNMA1 Q12791 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31159174 0.87 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL913705 0.87 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2046728 0.87 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL205671 0.86 TTR (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29858635 0.86 TTR (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL25087425 0.84 TPMT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4017244 0.84 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL505648 0.84 ALDH1A1 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2034876 0.82 SOS1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2928075 0.81 ALDH1A1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 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 (1 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH PDGFRB 4832/4885FGFR1 1834/4885PDGFRA 4753/4885

“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.