SCHEMBL2218947

SCHEMBL2218947

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 6/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
MITF O75030 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HSP90AA1 P07900 1/20 0.54
GPR35 Q9HC97 5/20 0.52
MAPK1 P28482 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
HPGD P15428 2/20 0.52
HIF1A Q16665 2/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52

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
SCHEMBL5712996 0.98 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL11543051 0.98 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL5712997 0.98 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNANPC1
Potassium Ion SCHEMBL11543057 0.98 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNANPC1
Nitric Acid SCHEMBL11543570 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL11589074 0.88 GPR35 (0.58) ALDH1A1MAPTKDM4ELMNANPC1
Nitrobenzene SCHEMBL28301918 0.88 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL11589279 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL11589149 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ELMNANPC1
SCHEMBL11586489 0.88 MEN1 (0.71) ALDH1A1MAPTKDM4ELMNANPC1

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 377 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
EP-4561985-B1 AMIDO-AMINE HARDENER JONES PAUL (GB) 2025-12-03 EP claimed
US-20250298007-A1 GENETICALLY-ENCODED VOLTAGE SENSOR FOR THE MITOCHONDRIAL INNER MEMBRANE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2025-09-25 US claimed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US claimed
EP-4014739-B1 USE OF PHYTOSANITARY COMPOSITION COMPRISING ESSENTIAL OILS THAT POTENTIATE ANTIFUNGAL ACTIVITY BIOFUNGITEK SL (ES) 2025-04-30 EP claimed
EP-4014740-B1 USE OF PHYTOSANITARY COMPOSITION COMPRISING ESSENTIAL OILS THAT POTENTIATE ANTIFUNGAL ACTIVITY BIOFUNGITEK SL (ES) 2025-04-23 EP claimed
EP-4298177-B1 ADHESIVE COMPOSITIONS COMPRISING BIO-BASED ADHESIVES, AND THEIR USE FOR MANUFACTURING WOOD-BASED COMPOSITES AND FIBREGLASS OR ROCK WOOL INSULATIONS FORESA TECH S L U (ES) 2024-10-23 EP claimed
EP-4298178-B1 ADHESIVE COMPOSITIONS COMPRISING BIO-BASED ADHESIVES FROM RENEWABLE RESOURCES, AND THEIR USE FOR MANUFACTURING PLYWOOD FORESA TECH S L U (ES) 2024-10-09 EP claimed
EP-4298179-B1 ADHESIVE COMPOSITIONS COMPRISING BIO-BASED ADHESIVES AND MIXTURES FOR CURTAIN COATING FORESA TECH S L U (ES) 2024-09-25 EP claimed
US-20010023727-A1 Method of preparing propellants using multimodal grains of beta-octogen REDECKER KLAUS (DE) 2001-09-27 US claimed
EP-0528392-B1 Application of beta-octogen with polymodal particle size distribution DYNAMIT NOBEL AG (DE) 1995-10-18 EP claimed
CN-1025320-C purification method of high-purity sodium iodide BEIJING NUCLEAR APPARATUS PLAN (CN) 1994-07-06 CN claimed
CN-1066830-A purification method of high-purity sodium iodide BEIJING NUCLEAR INSTR FACTORY (CN) 1992-12-09 CN claimed
CN-1037127-A The extractive technique scheme of the diffusing precious metal of rock decay earth absorbent type rare LI JIUCHENG (CN) 1989-11-15 CN claimed
CN-86101311-A Extracting rubidium caesium process program from acid-basicity magmatite weathering crust or ion adsorption type rare earth ore 1988-02-17 CN claimed
EP-0077980-A2 (Potassium ion-selective membrane) electrode NOVA BIOMEDICAL CORPORATION (US) 1983-05-04 EP claimed
US-4361473-A CROWN COMPOUNDS NOVA BIOMEDICAL CORPORATION (US) 1982-11-30 US claimed
US-4225330-A Process for producing glass member SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1980-09-30 US claimed
US-4145969-A Priming system for high-temperature stable propellants DYNAMIT NOBEL AG (DE) 1979-03-27 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 (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 ALDH1A1 4406/4885MAPT 1861/4885KDM4E 2829/4885

“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.