SCHEMBL4288448

SCHEMBL4288448

COC(=O)COc1c(C(=O)OC)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.39
VCAM1 P19320 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL8240786 0.84 MEN1 (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16106345 0.84 TPMT (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13851320 0.84 ESR1 (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4288076 0.83 SRD5A2 (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4293853 0.83 ALDH1A1 (0.48) ALDH1A1PTGS2MAPTGAAPKM
SCHEMBL4289412 0.83 LMNA (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13851053 0.81 LMNA (0.50) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL21494379 0.81 KDM4E (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30866915 0.81 KDM4E (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL3939940 0.78 PDGFRB (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PDGFRB 2032/4885FGFR1 214/4885PDGFRA 2110/4885

“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.