SCHEMBL223752

SCHEMBL223752

Nc1c(N)c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 7/20 0.38
CYP3A4 P08684 2/20 0.38
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL15598673 0.90 TSHR (0.42) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL7861184 0.90 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL29232798 0.87 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL438677 0.80 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL1194020 0.79 TSHR (0.45) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL10401073 0.79 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL3876185 0.78 PKM (0.41) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL6722785 0.78 LOXL2 (0.33) TSHRHTTPOLB
Barium SCHEMBL31718046 0.78 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4PKMLMNA
SCHEMBL6722779 0.77 GRIN2D (0.33) TSHRHTTPOLBGRIN2DGRIN3B

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 1549 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637396-B1 Explosives using thermally expandable microspheres in a solid matrix TRIAD NATIONAL SECURITY, LLC (US) 2026-05-26 US claimed
CN-122094701-A TLR3 binding bicyclic peptide ligands 2026-05-26 CN claimed
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US claimed
EP-3882229-B1 POURABLE EXPLOSIVE ACTIVE SUBSTANCE DIEHL DEFENCE GMBH & CO KG (DE) 2026-04-22 EP claimed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US claimed
US-12473328-B2 Method for modification of peptides immobilized on a solid support by traceless reductively cleavable linker molecules Belyntic GmbH (DE) 2025-11-18 US claimed
US-20250340595-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TRANSFERRIN RECEPTOR 1 (TfR1) BICYCLETX LTD (GB) 2025-11-06 US claimed
US-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS BICYCLE TX LTD (GB) 2025-10-23 US claimed
US-20250276073-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TRANSFERRIN RECEPTOR 1 (TfR1) BICYCLETX LIMITED (GB) 2025-09-04 US claimed
EP-4598672-A1 HYBRID ADSORBENT GRANULES AND FILTERS MADE WITH THE GRANULES Numat Technologies Inc. (US) 2025-08-13 EP claimed
EP-0481838-A1 Insensitive ammunition containing an explosive multi-compositional charge and process for obtaining a blasting effect in water as well as in air SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1992-04-22 EP claimed
EP-0477090-A1 Ignition system for non-sensitive explosives SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1992-03-25 EP claimed
EP-0299253-A1 Chemically bonded ceramic armor materials CEMCOM CORPORATION (US) 1989-01-18 EP claimed
EP-0125166-B1 COLD-MOULDABLE EXPLOSIVE COMPOSITION AND PROCESS FOR ITS PREPARATION COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1987-04-01 EP claimed
US-4554031-A Cold moldable explosive composition COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1985-11-19 US claimed
EP-0125166-A1 Cold-mouldable explosive composition and process for its preparation COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1984-11-14 EP claimed
US-4248798-A New method for preparing pentanitroaniline and triaminotrinitrobenzenes from trinitrotoluene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1981-02-03 US claimed
US-4207124-A ORGANIC NITRO COMPOUND AND A TETRAFLUOROAMMONIUM COMPOUND THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-06-10 US claimed
US-3985595-A CHLOROTRIFLUOROETHYLENE-VINYLIDENE FLUORIDE COPOLYMER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) 1976-10-12 US claimed
US-3953259-A PROPELLANTS, HEXANITRO-STILBENE, TRIAMINO-TRINITROBENZENE, PICRIC ACID THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-04-27 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 (6 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-20250325672-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS ACE2, SARS1, TMPRSS2 TSHR 3458/4885ALDH1A1 4812/4885CYP3A4 3012/4885
US-20250276073-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TRANSFERRIN RECEPTOR 1 (TfR1) TFRC, SLC40A1, FOLR1 TSHR 47/4885ALDH1A1 3681/4885CYP3A4 4259/4885
US-20250340595-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR TRANSFERRIN RECEPTOR 1 (TfR1) TFRC, FTH1, SLC40A1 TSHR 116/4885ALDH1A1 3280/4885CYP3A4 4148/4885
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES TES, TNPO1, SLC2A1 TSHR 3452/4885ALDH1A1 4406/4885CYP3A4 4388/4885
US-12473328-B2 Method for modification of peptides immobilized on a solid support by traceless reductively cleavable linker molecules PTMS, VIP, HM13 TSHR 223/4885ALDH1A1 2067/4885CYP3A4 3852/4885
US-12637396-B1 Explosives using thermally expandable microspheres in a solid matrix CLPX, SRMS, TSNAX TSHR 661/4885ALDH1A1 3706/4885CYP3A4 4141/4885

“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.