SCHEMBL5148797

SCHEMBL5148797

N[C@@H](CCC(=O)N1CCC(CCO[N+](=O)[O-])CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL5155654 0.88 CYP1A2 (0.41) MEN1CYP1A2KMT2AITGB3ITGA2B
SCHEMBL5151202 0.80 CYP1A2 (0.40) MEN1CYP1A2KMT2ADPP4DPP8
SCHEMBL14394506 0.80 GNAI3 (0.46) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL5151071 0.78 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL5151021 0.78 MEN1 (0.41) MEN1CYP1A2KMT2AITGB3ITGA2B
SCHEMBL9330359 0.76 MMP2 (0.38) MMP2MMP9
SCHEMBL2803178 0.74 MMP2 (0.38) MMP2MMP9
SCHEMBL14573966 0.73 BCHE (0.40) MEN1KMT2AITGB3ITGA2B
SCHEMBL13585224 0.73 GRM8 (0.46) CYP1A2KMT2ADPP4DPP8
SCHEMBL1768391 0.73 GRM8 (0.46) CYP1A2KMT2ADPP4DPP8

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 MEN1 1735/4885CYP1A2 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.