SCHEMBL2957599

SCHEMBL2957599

O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@H](CO)O[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL21493267 1.00 GSR (0.38) GSRALDH1A1
Tetranitrin SCHEMBL613474 0.89 ALDH1A1 (0.40) GSRALDH1A1
Tetranitrin SCHEMBL16541075 0.89 ALDH1A1 (0.40) GSRALDH1A1
Erythrityl Tetranitrate SCHEMBL1816345 0.89 ALDH1A1 (0.40) GSRALDH1A1
Erythrityl Tetranitrate SCHEMBL119876 0.89 ALDH1A1 (0.40) GSRALDH1A1
Erythrityl Tetranitrate SCHEMBL1269391 0.88 GSR (0.36) GSRALDH1A1
SCHEMBL1147572 0.87 GSR (0.45) GSRALDH1A1
SCHEMBL11021827 0.80 LMNA (0.38) GSR
SCHEMBL16541077 0.79 GSR (0.32) GSRALDH1A1
Mannitol Hexanitrate SCHEMBL220255 0.78 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772278-B2 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2010-08-10 US disclosed
US-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-04-02 US disclosed
US-7449595-B2 for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions NITROMED, INC. (US) 2008-11-11 US disclosed
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2007-05-17 US disclosed
US-7176238-B1 Nitrostated and nitrosylated prostaglandins, compositions and methods of use NITROMED INC. (US) 2007-02-13 US disclosed
WO-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 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 (2 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-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE PTGIS, PGF, PTGS1 GSR 40/4885ALDH1A1 500/4885
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use PTGIS, PGF, PTGS1 GSR 40/4885ALDH1A1 500/4885

“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.