SCHEMBL4593090

SCHEMBL4593090

CC(=O)C(=O)OCCN1CCN(CO[N+](=O)[O-])CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.33
SLC18A3 Q16572 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 4/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4593562 0.92 HRH2 (0.37) SLC29A1ALDH1A1KDM4EKCNH2HRH2
SCHEMBL4594584 0.91 MMP2 (0.35) SLC29A1SLC18A3ALDH1A1KDM4EKCNJ1
SCHEMBL4594069 0.88 MMP2 (0.34) SLC29A1SLC18A3ALDH1A1KDM4EKCNJ1
SCHEMBL4588380 0.88
SCHEMBL4593888 0.87 HRH2 (0.37) SLC29A1SLC18A3ALDH1A1KDM4EKCNH2
SCHEMBL4594002 0.84 HRH2 (0.40) SLC29A1ALDH1A1KDM4EKCNH2HRH2
SCHEMBL4594907 0.83 HRH2 (0.37) SLC29A1ALDH1A1KDM4EKCNH2HRH2
SCHEMBL4594022 0.82 HRH2 (0.38) SLC29A1ALDH1A1KDM4EKCNH2HRH2
SCHEMBL4587610 0.77 SLC18A3 (0.39) SLC18A3ALDH1A1KDM4EKCNH2SIGMAR1
SCHEMBL4588394 0.72 APEX1 (0.36) ALDH1A1KDM4ETDP1MEN1KMT2A

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
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US claimed
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP claimed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 EP claimed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 WO claimed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US 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-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 SLC29A1 710/4885SLC18A3 801/4885ALDH1A1 567/4885

“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.