SCHEMBL3476909

SCHEMBL3476909

O=[N+]([O-])C1([N+](=O)[O-])CN(C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
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
SCHEMBL1994684 0.76 CRHBP (0.63) CRHBPCRHR2GAA
Hydrochloric Acid SCHEMBL9247859 0.74 CRHBP (0.61) CRHBPCRHR2GAA
Trifluoroacetic Acid SCHEMBL9251412 0.73 CRHBP (0.49) CRHBPCRHR2
Nitric Acid SCHEMBL8647053 0.71 CRHBP (0.57) CRHBPCRHR2GAA
SCHEMBL1997904 0.71 ESR1 (0.33) CRHBPCRHR2
SCHEMBL7248680 0.67 GAA (0.33) CRHBPCRHR2GAA
SCHEMBL9921596 0.67 GAA (0.38) CRHBPCRHR2GAA
SCHEMBL436830 0.67 GAA (0.33) CRHBPCRHR2GAA
SCHEMBL3739463 0.66 CRHBP (0.34) CRHBPCRHR2
SCHEMBL25475858 0.66 CRHBP (0.50) CRHBPCRHR2GAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150246020-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NORTHROP GRUMMAN SYSTEMS CORPORATION 2015-09-03 US disclosed
US-20130123216-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF ALLIANT TECHSYSTEMS INC. (US) 2013-05-16 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
EP-1924253-A2 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF ATK Thiokol Propulsion Inc. (US) 2008-05-28 EP disclosed
US-20070135384-A1 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof RADIORX, INC. (US) 2007-06-14 US disclosed
WO-2007022225-A2 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF ATK THIOKOL PROPULSION INC. (US) 2007-02-22 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 (11 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 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20160199346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20150246020-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20200046682-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20090093644-A1 METHODS OF SYNTHESIZING CYCLIC NITRO COMPOUNDS NOS2, NOS1, NOS3 CRHBP 4205/4885CRHR2 3653/4885GAA 3578/4885
US-20180085346-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20220016077-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20070135384-A1 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-11925617-B2 Cyclic nitro compounds, pharmaceutical compositions thereof and uses thereof NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20090163466-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885
US-20250049756-A1 CYCLIC NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF NOS1, NOS2, NOS3 CRHBP 4430/4885CRHR2 3865/4885GAA 3166/4885

“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.