SCHEMBL5151000

SCHEMBL5151000

N[C@@H](CCC(=O)OCCN1CCC(O[N+](=O)[O-])CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
BCHE P06276 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 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
SCHEMBL14573989 0.93 BCHE (0.38) ALDH1A1CYP1A2KMT2AMEN1BCHE
Hydrochloric Acid SCHEMBL5151417 0.92 BCHE (0.38) ALDH1A1CYP1A2KMT2AMEN1BCHE
Hydrochloric Acid SCHEMBL5213240 0.92 BCHE (0.38) ALDH1A1CYP1A2KMT2AMEN1BCHE
SCHEMBL5151202 0.79 CYP1A2 (0.40) CYP1A2KMT2AMEN1GRM8GRM6
SCHEMBL14573983 0.79 ALDH1A1 (0.35) ALDH1A1CYP1A2KMT2AMEN1GRM8
SCHEMBL4585987 0.76 ALDH1A1 (0.35) ALDH1A1CYP1A2BCHEGSRSIGMAR1
SCHEMBL14573981 0.75 BCHE (0.37) CYP1A2BCHEACE
SCHEMBL4587610 0.74 SLC18A3 (0.39) ALDH1A1KMT2AMEN1BCHEGSR
SCHEMBL5150806 0.73 MEN1 (0.33) ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL5148827 0.73 SLC1A1 (0.43) CYP1A2KMT2AGRM8GRM6GRIN2D

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 9 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
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 ALDH1A1 883/4885CYP1A2 3335/4885KMT2A 3342/4885

“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.