SCHEMBL700571

SCHEMBL700571

O=[N+]([O-])C1NC([N+](=O)[O-])C1[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28394988 0.83 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL4060738 0.77
SCHEMBL9100777 0.71
SCHEMBL29289510 0.65 MEN1 (0.36)
SCHEMBL11787834 0.65 MEN1 (0.36)
SCHEMBL2573184 0.62 MEN1 (0.33)
SCHEMBL21408512 0.60
SCHEMBL9947423 0.58 TSHR (0.30) TSHR
SCHEMBL133022 0.57 MEN1 (0.75) ALDH1A1TSHRTDP1
SCHEMBL2905909 0.57 MEN1 (0.75) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082100-B Preparation method of ordered micropore emission charge 西安近代化学研究所 2024-05-10 CN claimed
CN-116082100-A Preparation method of ordered micropore emission charge 西安近代化学研究所 2023-05-09 CN claimed
CN-114685227-B Preparation method of TNBA/TNAZ eutectic 中北大学 2023-04-28 CN claimed
CN-114685226-B Light-cured intelligent energetic material and preparation method thereof 西安近代化学研究所 2022-12-13 CN claimed
CN-110232241-B Hemispherical fusion-cast explosive casting process simulation method 西安近代化学研究所 2022-10-25 CN claimed
CN-110713428-B Casting type high polymer bonded explosive 湖北航天化学技术研究所 2021-07-23 CN claimed
CN-110713428-A Casting type high polymer bonded explosive 湖北航天化学技术研究所 2020-01-21 CN claimed
US-10184326-B2 Perforating system for hydraulic fracturing operations BAKER HUGHES, A GE COMPANY LLC (US) 2019-01-22 US claimed
US-20150361774-A1 Perforating System for Hydraulic Fracturing Operations BAKER HUGHES HOLDINGS LLC 2015-12-17 US claimed
US-20120210967-A1 ANAEROBIC DEFLAGRATION INTERNAL PISTON ENGINES, ANAEROBIC FUELS AND VEHICLES COMPROSING THE SAME WALDHORN JOSHUA (IL) 2012-08-23 US claimed
WO-2009022350-A2 ENGINE AND METHODS THEREOF WALDHORN JOSHUA (IL) 2009-02-19 WO claimed
EP-1982058-A2 ANAEROBIC DEFLAGRATION INTERNAL PISTON ENGINES, ANAEROBIC FUELS AND VEHICLES COMPRISING THE SAME Waldhorn, Joshua (IL) 2008-10-22 EP claimed
WO-2008102343-A1 APPARATUS AND METHOD FOR REDUCING FRICTION, CORROSION AND BIOLOGICAL GROWTH ON THE HULL OF MARINE VESSELS WALDHORN JOSHUA (IL) 2008-08-28 WO claimed
EP-1556056-A4 X-NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEROF RADIORX INC (US) 2008-08-06 EP claimed
WO-2007091270-A2 ANAEROBIC DEFLAGRATION INTERNAL PISTON ENGINES, ANAEROBIC FUELS AND VEHICLES COMPRISING THE SAME WALDHORN JOSHUA (IL) 2007-08-16 WO claimed
EP-1556056-A2 X-NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEROF Radiorx, Inc. (US) 2005-07-27 EP claimed
US-20040167212-A1 X-nitro compounds, pharmaceutical compositions thereof and uses thereof RADIORX, INC. 2004-08-26 US claimed
WO-2004032864-A2 X-NITRO COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEROF RADIORX, INC. (US) 2004-04-22 WO claimed
WO-1996036602-A1 ADNAZ, COMPOSITIONS AND PROCESSES THE UNITED STATES OF AMERICA (US) 1996-11-21 WO claimed
US-5476951-A Nitration of 3-oximoazetidine GEO-CENTERS, INC. 1995-12-19 US claimed

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-20040167212-A1 X-nitro compounds, pharmaceutical compositions thereof and uses thereof XDH, TXN, NOX1 ALDH1A1 2041/4885TSHR 3847/4885TDP1 532/4885

“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.