SCHEMBL9947427

SCHEMBL9947427

CC1CCC([N+](=O)[O-])([N+](=O)[O-])CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
NLRP3 Q96P20 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9947424 0.86 NLRP3 (0.34) NLRP3
SCHEMBL9452630 0.80 MAPT (0.33) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9918135 0.75
SCHEMBL14911002 0.74
SCHEMBL9947422 0.74 NLRP3 (0.43) NLRP3
SCHEMBL3285840 0.69 NLRP3 (0.33) NLRP3
SCHEMBL28392433 0.69 NLRP3 (0.33) NLRP3
SCHEMBL9918134 0.67 NLRP3 (0.32) NLRP3
SCHEMBL3289507 0.67 NLRP3 (0.32) NLRP3
SCHEMBL9921580 0.67 NEK2 (0.38) ALDH1A1HPGD

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-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
WO-2013052803-A2 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS RADIORX, INC. (US) 2013-04-11 WO disclosed
WO-2012078992-A1 ORGANONITRO COMPOUNDS FOR USE IN TREATING NON-HODGKIN'S LYMPHOMA AND LEUKEMIA, AND METHODS RELATING THERETO RADIORX, INC. (US) 2012-06-14 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-20140308260-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ MAPT 4665/4885ALDH1A1 1464/4885HPGD 139/4885

“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.