SCHEMBL4586997

SCHEMBL4586997

O=C(O)C(=O)CCCCN1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BCHE P06276 4/20 0.38
TMEM97 Q5BJF2 6/20 0.37
KMT2A Q03164 1/20 0.34
PAOX Q6QHF9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4587607 0.96 KDM4E (0.38) KDM4ECYP2D6CYP2C19BCHETMEM97
SCHEMBL4585987 0.90 ALDH1A1 (0.35) KDM4ECYP2D6CYP2C19BCHETMEM97
SCHEMBL5148816 0.80 GSR (0.35) KDM4ECYP2D6CYP2C19BCHETMEM97
SCHEMBL9330759 0.78 GNAO1 (0.50)
Fumaric Acid SCHEMBL9345675 0.78 KCNH2 (0.43) BCHE
SCHEMBL9330735 0.77 KEAP1 (0.39)
Fumaric Acid SCHEMBL9345668 0.77 CHRM3 (0.40) KDM4ECYP2D6CYP2C19BCHETMEM97
SCHEMBL5154489 0.77 SLC18A3 (0.38) KDM4ECYP2C19TMEM97KMT2A
SCHEMBL4594020 0.77 PAOX (0.38) KDM4ECYP2D6CYP2C19TMEM97KMT2A
SCHEMBL4593556 0.77 PAOX (0.38) KDM4ECYP2D6CYP2C19TMEM97KMT2A

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 KDM4E 2405/4885CYP2D6 2903/4885CYP2C19 1911/4885

“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.