SCHEMBL5148701

SCHEMBL5148701

CC(C)(CO[N+](=O)[O-])C(=O)N1CCN(CCCOC(=O)CC[C@H](N)C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 17/20 0.36
HRH1 P35367 17/20 0.36
NOD1 Q9Y239 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5150806 0.94 MEN1 (0.33) HRH2HRH1MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL5155296 0.93 MEN1 (0.33) HRH2HRH1MEN1CYP1A2KMT2A
SCHEMBL14573994 0.81 HRH2 (0.34) HRH2HRH1
SCHEMBL14607671 0.77 HRH2 (0.39) HRH2HRH1
SCHEMBL14573940 0.76 HRH2 (0.33) HRH2HRH1
SCHEMBL14607694 0.76 HRH2 (0.41) HRH2HRH1
SCHEMBL14574005 0.75 HRH2 (0.36) HRH2HRH1MEN1CYP1A2KMT2A
SCHEMBL14573989 0.74 BCHE (0.38) HRH2HRH1NOD1MEN1CYP1A2
SCHEMBL13396954 0.74 NOD1 (0.43) NOD1CYP1A2KMT2A
SCHEMBL5153828 0.74 GSR (0.41) NOD1CYP1A2KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US claimed
EP-1673384-A4 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2007-02-07 EP claimed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP claimed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO claimed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
EP-1673384-A4 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2007-02-07 EP disclosed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 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-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 HRH2 2566/4885HRH1 3401/4885NOD1 3074/4885

“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.