SCHEMBL12361995

SCHEMBL12361995

COC(=O)c1cc([N+](=O)[O-])c(SC(C)(C)C2OC(C)O2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

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
HPGD P15428 3/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 1/20 0.36
VCAM1 P19320 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33
TBXAS1 P24557 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
USP10 Q14694 1/20 0.32

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
SCHEMBL12353794 0.78 PDGFRB (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13088959 0.78 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13088890 0.76 HTT (0.37) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL2242118 0.76 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1721029 0.72 PDGFRB (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21250401 0.72 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17085847 0.72 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2897709 0.71 PDGFRB (0.67) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17080125 0.70 SLC6A4 (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12353806 0.69 PDGFRB (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 PDGFRB 616/4885FGFR1 194/4885PDGFRA 962/4885

“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.