SCHEMBL1993249

SCHEMBL1993249

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NLRP3 Q96P20 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APEX1 P27695 1/20 0.31
NPC1 O15118 2/20 0.31
MITF O75030 2/20 0.31
RAB9A P51151 2/20 0.31
YAP1 P46937 1/20 0.30
TEAD4 Q15561 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
SCHEMBL6365346 0.80 ALDH1A1 (0.52) ALDH1A1NLRP3LMNAMAPTL3MBTL1
SCHEMBL1991051 0.80 NLRP3 (0.35) ALDH1A1NLRP3MAPTL3MBTL1APEX1
Nibrozetone SCHEMBL2249018 0.80 NLRP3 (0.47) ALDH1A1NLRP3LMNAMAPTL3MBTL1
SCHEMBL22015927 0.77 NLRP3 (0.33) NLRP3MAPTL3MBTL1
SCHEMBL21626535 0.76 POLB (0.41) ALDH1A1POLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL20547329 0.73 ALDH1A1 (0.50) ALDH1A1POLBHTTSMN1; SMN2LMNA
SCHEMBL27012291 0.73 ALDH1A1 (0.50) ALDH1A1POLBHTTSMN1; SMN2LMNA
SCHEMBL14841644 0.72 NLRP3 (0.34) NLRP3APEX1
SCHEMBL30787950 0.72 JAK2 (0.31) NLRP3
SCHEMBL24414321 0.72 ALDH1A1 (0.48) ALDH1A1POLBHTTSMN1; SMN2LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924253-B1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF ALLIANT TECHSYSTEMS INC (US) 2014-12-10 EP claimed
US-7745643-B2 chemical synthesizing a N-(haloacetyl)-3,3-dinitro-azetidine compound; anticarciogenic, antiinflammatory, antihypoxic, antidiabetic agent; cardiovascular and autoimmune disease; rheumatoid arthritis, diabetic retinopathy ALLIANT TECHSYSTEMS INC. (US) 2010-06-29 US claimed
US-20090093644-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS ALLIANT TECHSYSTEMS INC. (US) 2009-04-09 US claimed
US-20250049756-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NORTHROP GRUMMAN SYSTEMS CORP (US) 2025-02-13 US disclosed
US-11925617-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof NORTHROP GRUMMAN SYSTEMS (US) 2024-03-12 US disclosed
US-20220016077-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NORTHROP GRUMMAN INNOVATION SYSTEMS LLC 2022-01-20 US disclosed
US-20200046682-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NORTHROP GRUMMAN SYSTEMS CORPORATION 2020-02-13 US disclosed
US-10149832-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof EPICENTRX, INC. (US) 2018-12-11 US disclosed
US-20180085346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF Northrop Grumman Innovation Systems, Inc. 2018-03-29 US disclosed
US-20160199346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NORTHROP GRUMMAN SYSTEMS CORPORATION 2016-07-14 US disclosed
US-9226915-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof EPICENTRX, INC. (US) 2016-01-05 US disclosed
US-20130123216-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF ALLIANT TECHSYSTEMS INC. (US) 2013-05-16 US disclosed
US-8299053-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof RADIORX, INC. (US) 2012-10-30 US disclosed
US-8178698-B2 Methods of synthesizing cyclic nitro compounds ALLIANT TECHSYSTEMS INC. (US) 2012-05-15 US disclosed
US-20110130572-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS ALLIANT TECHSYSTEMS INC. (US) 2011-06-02 US disclosed
US-7745643-B2 chemical synthesizing a N-(haloacetyl)-3,3-dinitro-azetidine compound; anticarciogenic, antiinflammatory, antihypoxic, antidiabetic agent; cardiovascular and autoimmune disease; rheumatoid arthritis, diabetic retinopathy ALLIANT TECHSYSTEMS INC. (US) 2010-06-29 US disclosed
US-20090163466-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF RADIORX, INC. (US) 2009-06-25 US disclosed
US-20090093644-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS ALLIANT TECHSYSTEMS INC. (US) 2009-04-09 US disclosed
US-7507842-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof RADIORX, INC. (US) 2009-03-24 US disclosed
US-20070135384-A1 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof RADIORX, INC. (US) 2007-06-14 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 (12 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-20130123216-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20160199346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20110130572-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS NOS2, NOS1, NOS3 ALDH1A1 1408/4885NLRP3 965/4885POLB 539/4885
US-20200046682-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20090093644-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS NOS2, NOS1, NOS3 ALDH1A1 1408/4885NLRP3 965/4885POLB 539/4885
US-20180085346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20220016077-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-10149832-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20070135384-A1 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-11925617-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20090163466-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885
US-20250049756-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 ALDH1A1 1432/4885NLRP3 559/4885POLB 943/4885

“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.