SCHEMBL9979299

SCHEMBL9979299

O=[N+]([O-])C(O)(CCO)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.33
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL28095860 0.84 LMNA (0.37) LMNAALDH1A1TDP1TSHR
SCHEMBL9509880 0.78 LMNA (0.40) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL5025852 0.77 LMNA (0.50) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL27551301 0.76
SCHEMBL9548584 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL6927423 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL15494056 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHRCA5A
SCHEMBL1678857 0.74 LMNA (0.42) LMNAALDH1A1TDP1TSHR
SCHEMBL11432225 0.74
SCHEMBL400262 0.74

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-8841468-B2 Synthesis of an azido energetic alcohol PHYSICAL SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20110319643-A1 Synthesis of an Azido Energetic Alcohol PHYSICAL SCIENCES, INC. (US) 2011-12-29 US disclosed
US-4233250-A Process for synthesizing the alkali metal salts of dinetromethane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1980-11-11 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 (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-20110319643-A1 Synthesis of an Azido Energetic Alcohol ADH1A, ADH1C, STS LMNA 4793/4885ALDH1A1 36/4885TDP1 4207/4885

“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.