SCHEMBL9918134

SCHEMBL9918134

CC(C)C1CCC([N+](=O)[O-])([N+](=O)[O-])C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL9918135 0.88
SCHEMBL9918133 0.83 NLRP3 (0.39) NLRP3
SCHEMBL31657234 0.75 GAA (0.32)
SCHEMBL9947424 0.72 NLRP3 (0.34) NLRP3
SCHEMBL9918137 0.72 NLRP3 (0.33) NLRP3
SCHEMBL9947427 0.67 MAPT (0.33) NLRP3
SCHEMBL12868777 0.64
SCHEMBL18881929 0.64
SCHEMBL26008037 0.64 IDO1 (0.33)
SCHEMBL679532 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products EPICENTRX, INC. (US) 2023-05-30 US disclosed
US-20140308260-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS EPICENTRX, INC. 2014-10-16 US disclosed
US-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto ORONSKY BRYAN T (US) 2012-06-14 US 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 (3 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-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products HBB, HBG2, HBZ NLRP3 3120/4885
US-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto NPM1, MCL1, BCL9 NLRP3 3434/4885
US-20140308260-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ NLRP3 3120/4885

“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.