Sugi Predict

Sugi Predict / Compounds / SCHEMBL1502113

SCHEMBL1502113

SCHEMBL1502113

O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 2/20 0.48
▸ GPR35 Q9HC97 5/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ TTR P02766 1/20 0.37

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
SCHEMBL20985115 1.00 S100A4 (0.48) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL28726007 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL31123045 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL5860030 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL5860034 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL28666838 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
Water SCHEMBL3516244 0.97 S100A4 (0.46) S100A4GPR35MEN1KMT2ALMNA
Methyl Alcohol SCHEMBL29086936 0.94 S100A4 (0.44) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL70525 0.94 S100A4 (0.44) S100A4GPR35MEN1KMT2ALMNA
SCHEMBL3083248 0.93 S100A4 (0.48) S100A4GPR35MEN1KMT2ALMNA

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 193 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-118908837-A Method for continuously synthesizing trinitrophloroglucinol by using tubular reactor with static mixing device 中国科学院大连化学物理研究所 2024-11-08 — — CN claimed
CN-118908836-A Method for continuously synthesizing trinitrophloroglucinol by multistage charging of tubular reactor with static mixing device 中国科学院大连化学物理研究所 2024-11-08 — — CN claimed
CN-117986123-A Trinitrophloroglucinol energetic ion salt and preparation method thereof 湖北航天化学技术研究所 2024-05-07 — — CN claimed
CN-117466741-A Method for continuously preparing TATB intermediate TETNB by utilizing overflow method of serial reaction kettles 中国科学院上海有机化学研究所 2024-01-30 — — CN claimed
US-11814332-B2 Bismuth-based energetic materials SELLIER & BELLOT A.S. (CZ) 2023-11-14 — — US claimed
CN-116813477-A Method for continuously preparing trinitrobenzene 中国科学院大连化学物理研究所 2023-09-29 — — CN claimed
CN-116693464-A Energetic ionic salt based on 3-hydrazino-5-amino-1H-1, 2, 4-triazole and preparation method thereof 安徽理工大学 2023-09-05 — — CN 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-7057073-B2 Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB) REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-06 — — US claimed
US-20050070743-A1 Synthesis of trinitrophloroglucinol and triaminotrinitrobenzene (TATB) LAWRENCE LIVERMORE NATIONAL SECURITY, LLC 2005-03-31 — — US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 — — US claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 — — EP claimed
EP-0190676-B1 CIS-1,3,5-TRIAMINO 2,4,6-CYCLOHEXANETRIOL DERIVATIVES, THEIR USE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Laboratorien Hausmann AG (CH) 1989-03-22 — — EP claimed
EP-0190676-A1 Cis-1,3,5-triamino 2,4,6-cyclohexanetriol derivatives, their use, process for their preparation and pharmaceutical preparations containing them Laboratorien Hausmann AG (CH) 1986-08-13 — — EP claimed
US-4434304-A Synthesis of trinitrophloroglucinol THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-02-28 — — 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-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 S100A4 2042/4885GPR35 1862/4885MEN1 2583/4885

“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.