SCHEMBL3307495

SCHEMBL3307495

O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.55
TXNRD3 Q86VQ6 2/20 0.55
TXNRD2 Q9NNW7 2/20 0.55
ALDH1A1 P00352 6/20 0.52
GPR35 Q9HC97 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
HIF1A Q16665 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 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
Ethylene SCHEMBL28272222 0.96 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL27581734 0.80 ALDH1A1 (0.47) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL2822069 0.77 ALDH1A1 (0.58) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL9794431 0.77 VCAM1 (0.47) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL7297476 0.76 ALDH1A1 (0.43) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL4076110 0.75 ALDH1A1 (0.56) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL8686866 0.75 ALDH1A1 (0.56) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL7348266 0.74 ALDH1A1 (0.50) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
SCHEMBL9761462 0.74 CYP19A1 (0.52) TXNRD1TXNRD3TXNRD2ALDH1A1GPR35
Trinitrotoluene SCHEMBL891182 0.73 ALDH1A1 (0.61) ALDH1A1GPR35TDP1HPGDMAPK1

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 14 patents. 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
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-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 US claimed
EP-2128117-A2 MODIFIER FOR EXPLOSIVES Obshestvo S Ogranichennoy Otvetstvennjctyu "Ifokhim" (RU) 2009-12-02 EP claimed
CN-1721401-A Inhibitors of LFA-1 binding to ICAMS and uses thereof ICOS CORP (US) 2006-01-18 CN claimed
CN-1351588-A Inhibitor for combination of leukocyte function-associated antigen and intercellular adhesion molecule and application thereof ICOS CORP (US) 2002-05-29 CN claimed
US-20260110607-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES WITH MINIMIZED FALSE POSITIVES ALTI LLC (US) 2026-04-23 US disclosed
US-12517047-B2 Transport and detection of explosive samples ALTI LLC (US) 2026-01-06 US disclosed
US-20250237601-A1 TRANSPORT AND DETECTION OF EXPLOSIVE SAMPLES ALTI LLC 2025-07-24 US disclosed
US-20120291931-A1 COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF MCDERMOTT WILL & EMERY 2012-11-22 US disclosed
US-20100096050-A1 MODIFIER FOR EXPLOSIVES LIMITED LIABILITY COMPANY IFO 2010-04-22 US disclosed
CN-1721401-A Inhibitors of LFA-1 binding to ICAMS and uses thereof ICOS CORP (US) 2006-01-18 CN disclosed

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 TXNRD1 673/4885TXNRD3 1430/4885TXNRD2 741/4885

“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.