SCHEMBL4587610

SCHEMBL4587610

CC(=O)C(=O)OCCN1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
BCHE P06276 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH1 P35367 1/20 0.30
GSR P00390 1/20 0.30
TSHR P16473 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
SCHEMBL4587008 0.92 BCHE (0.39) SLC18A3BCHESIGMAR1CYP2D6CYP2C19
SCHEMBL4585982 0.86 GSR (0.32) GSR
SCHEMBL4594584 0.80 MMP2 (0.35) SLC18A3SIGMAR1KDM4EMEN1KMT2A
SCHEMBL4593090 0.77 SLC29A1 (0.33) SLC18A3SIGMAR1KDM4EMEN1KMT2A
SCHEMBL4593888 0.76 HRH2 (0.37) SLC18A3CYP2D6CYP2C19KDM4EMEN1
SCHEMBL9330677 0.76 HRH3 (0.40)
SCHEMBL5154489 0.76 SLC18A3 (0.38) SLC18A3CYP2C19KDM4EMEN1KMT2A
SCHEMBL5151000 0.74 ALDH1A1 (0.35) SLC18A3BCHESIGMAR1CYP2D6KDM4E
SCHEMBL4585987 0.74 ALDH1A1 (0.35) BCHESIGMAR1CYP2D6CYP2C19KDM4E
SCHEMBL4594002 0.73 HRH2 (0.40) CYP2D6CYP2C19KDM4EMEN1KMT2A

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 8 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
EP-1692107-A4 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-10-29 EP disclosed
EP-1692107-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-08-23 EP disclosed
WO-2005060603-A2 NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-07-07 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-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 SLC18A3 801/4885BCHE 2064/4885SIGMAR1 1383/4885

“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.