SCHEMBL5151075

SCHEMBL5151075

[CH2]C(CO)(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.34

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
SCHEMBL1898515 0.85 ALDH1A1 (0.62) ALDH1A1
Pentrinitrol SCHEMBL122322 0.76 ALDH1A1 (0.71) ALDH1A1LMNA
Pentaerythrityl Mononitrate SCHEMBL2293171 0.76 ALDH1A1 (0.71) ALDH1A1LMNA
Pentaerythrityl Dinitrate SCHEMBL2290461 0.76 ALDH1A1 (0.71) ALDH1A1LMNA
Pentrinitrol SCHEMBL15777772 0.76 ALDH1A1 (0.71) ALDH1A1LMNA
SCHEMBL6360345 0.75 ALDH1A1 (0.62) ALDH1A1
SCHEMBL1730047 0.75
Pentrinitrol SCHEMBL3884946 0.74 ALDH1A1 (0.68) ALDH1A1LMNA
SCHEMBL4649499 0.73 ALDH1A1 (0.52) ALDH1A1LMNA
SCHEMBL10720457 0.73 ALDH1A1 (0.52) ALDH1A1LMNA

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 4 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 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 883/4885LMNA 2015/4885

“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.