SCHEMBL188171

SCHEMBL188171

O=[N+]([O-])c1cc2ccccc2c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.71
CASP6 P55212 1/20 0.61
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.55
HPRT1 P00492 1/20 0.51
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CDK2 P24941 1/20 0.46
S100A4 P26447 2/20 0.44
CTSB P07858 2/20 0.43
RAB9A P51151 2/20 0.41
APEX1 P27695 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
S1PR4 O95977 1/20 0.40

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
SCHEMBL3179873 0.85 CYP3A4 (0.56) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL4369022 0.84 CASP6 (0.75) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL7912363 0.84 CYP3A4 (0.59) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL162999 0.84 CYP3A4 (0.59) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL29450703 0.84 CYP3A4 (1.00) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL57759 0.84 CYP3A4 (1.00) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL9345317 0.81 CYP3A4 (0.56) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL8622947 0.80 HPRT1 (0.76) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL6642388 0.80 CYP3A4 (0.54) CYP3A4CASP6TSHRTDP1ALDH1A1
SCHEMBL11416804 0.80 ALDH1A1 (0.56) CYP3A4CASP6TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
CN-105369227-A Stabilizer for acid potassium permanganate solution UNIV LISHUI 2016-03-02 CN claimed
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 US claimed
US-8192511-B2 Methods and compositions for decreasing carbon emissions WEI PICHANG (CN) 2012-06-05 US claimed
US-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 US claimed
US-20090320728-A1 METHODS AND COMPOSITIONS FOR DECREASING CARBON EMISSIONS WEI PICHANG 2009-12-31 US claimed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
CN-101215479-A Application of high-energy oxygen-containing fuel PICHANG WEI (CN) 2008-07-09 CN claimed
EP-1854160-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-11-14 EP claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
WO-2006085319-A2 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2006-08-17 WO claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-6610157-B1 Prilled energetic particles, and process for making the same ALLIANT TECHSYSTEMS INC. 2003-08-26 US claimed
EP-0452048-B1 Process for preparing carbon/carbon composite NIPPON OIL CO LTD (JP) 1994-08-10 EP claimed
US-5181979-A PROCESS FOR PREPARING CARBON/CARBON COMPOSITE NIPPON OIL COMPANY, LIMITED (JP) 1993-01-26 US claimed
EP-0452048-A1 Process for preparing carbon/carbon composite NIPPON OIL COMPANY, LIMITED (JP) 1991-10-16 EP 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-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 CYP3A4 4388/4885CASP6 1609/4885TSHR 3452/4885

“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.