SCHEMBL21626522

SCHEMBL21626522

CC(C)N1CC(N=O)([N+](=O)[O-])C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21626519 0.69 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL11230782 0.67 GAA (0.36) GAA
SCHEMBL9918125 0.64 CYP2D6 (0.32) GAA
SCHEMBL9820126 0.64 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9918124 0.63 CYP2D6 (0.37) GAA
SCHEMBL4817167 0.60 APEX1 (0.32) GAA
SCHEMBL22404379 0.59 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL10111451 0.59 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL2737388 0.57
SCHEMBL681140 0.57

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 2 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-20200022952-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS EPICENTRX, INC. 2020-01-23 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 (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-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products HBB, HBG2, HBZ GAA 2990/4885SMN1; SMN2 838/4885
US-20200022952-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ GAA 2990/4885SMN1; SMN2 838/4885

“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.