SCHEMBL9918124

SCHEMBL9918124

CC(C)N1CCC([N+](=O)[O-])([N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL9918125 0.88 CYP2D6 (0.32) CYP2D6GAA
SCHEMBL9921580 0.77 NEK2 (0.38) ALDH1A1LMNAGAA
SCHEMBL11230782 0.74 GAA (0.36) GAA
SCHEMBL14911002 0.69
SCHEMBL10111445 0.68 CYP2D6 (0.46) CYP2D6KDM4EALDH1A1LMNA
SCHEMBL9918131 0.67 NLRP3 (0.35)
SCHEMBL9947431 0.67 NEK2 (0.34) GAA
SCHEMBL803502 0.66 CYP2D6 (0.45) CYP2D6KDM4EALDH1A1LMNA
SCHEMBL7770721 0.66 CYP2D6 (0.45) CYP2D6KDM4EALDH1A1LMNA
SCHEMBL11947828 0.65 CYP2D6 (0.41) CYP2D6KDM4EALDH1A1LMNA

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 CYP2D6 1050/4885KDM4E 645/4885ALDH1A1 1464/4885
US-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto NPM1, MCL1, BCL9 CYP2D6 352/4885KDM4E 1435/4885ALDH1A1 1564/4885
US-20140308260-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ CYP2D6 1050/4885KDM4E 645/4885ALDH1A1 1464/4885

“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.