SCHEMBL434275

SCHEMBL434275

O=[N+]([O-])c1ccc(SCl)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.72
▸ TXNRD3 Q86VQ6 1/20 0.72
▸ TXNRD2 Q9NNW7 1/20 0.72
▸ MAPT P10636 7/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GPR35 Q9HC97 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MGLL Q99685 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ FAAH O00519 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 2/20 0.49

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
SCHEMBL29484402 1.00 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL30128616 0.84 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL1032814 0.84 TXNRD1 (1.00) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL6161726 0.84 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL3990991 0.82 TXNRD1 (0.75) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL11603010 0.81 PDE7A (0.63) TXNRD1TXNRD3TXNRD2ALDH1A1TSHR
SCHEMBL11686247 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL8973665 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL41109 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1
SCHEMBL8442596 0.81 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12196760-B2 Molecular neighborhood detection by oligonucleotides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-01-14 — — US claimed
US-20220091130-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-03-24 — — US claimed
WO-2020014586-A9 MOLECULAR NEIGHBORHOOD DETECTION BY OLIGONUCLEOTIDES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-27 — — WO claimed
EP-3821010-A1 MOLECULAR NEIGHBORHOOD DETECTION BY OLIGONUCLEOTIDES Board of Regents, The University of Texas System (US) 2021-05-19 — — EP claimed
US-20210132076-A1 MOLECULAR NEIGHBORHOOD DETECTION BY OLIGONUCLEOTIDES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-06 — — US claimed
US-20210072251-A9 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-03-11 — — US claimed
US-20200124613-A1 SINGLE MOLECULE PEPTIDE SEQUENCING UNIV TEXAS (US) 2020-04-23 — — US claimed
US-10545153-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-01-28 — — US claimed
US-20170276686-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-09-28 — — US claimed
EP-3194980-A1 IMPROVED SINGLE MOLECULE PEPTIDE SEQUENCING Board of Regents, The University of Texas System (US) 2017-07-26 — — EP claimed
WO-2016069124-A1 IMPROVED SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-06 — — WO claimed
WO-2008138916-A1 ISOLATION OF PEPTIDES AND PROTEOMICS PLATFORM PRONOTA N.V. (BE) 2008-11-20 — — WO claimed
US-20040109789-A1 Dosimeter for sun radiation for use with sunscreen lotion SKYRAD LTD (IL) 2004-06-10 — — US claimed
WO-2001042747-A9 DOSIMETER FOR SUN RADIATION FOR USE WITH SUNSCREEN LOTION SKYRAD LTD (IL) 2001-07-19 — — WO claimed
WO-2001042747-A2 DOSIMETER FOR SUN RADIATION FOR USE WITH SUNSCREEN LOTION SKYRAD LTD. (IL) 2001-06-14 — — WO claimed
EP-0690069-B1 Process for the preparation of 20-oxo, 17-alpha, 21 dihydroxy steroid derivatives and new intermediates thereof HOECHST MARION ROUSSEL INC (FR) 2000-01-26 — — EP claimed
EP-0024042-B1 ANTIINFLAMMATORY 5-SUBSTITUTED-2,3-DIARYL-THIOPHENES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-29 — — EP claimed
US-3998889-A REACTING AN UNSATURATED ORGANO-TIN COMPOUND WITH AN ORGANIC SULFUR HALIDE THE PROCTER & GAMBLE COMPANY (US) 1976-12-21 — — US claimed
JP-63179977-A — — None — — JP disclosed
US-3931235-A FROM THE ALKALIMETAL SALT OF 4-HYDROXY-6-METHYL-2-PYRONE AND A THIOLSULFONATE THE DOW CHEMICAL COMPANY (US) 1976-01-06 — — US 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 (3 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-20210072251-A9 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, VIP, ANPEP TXNRD1 4121/4885TXNRD3 4623/4885TXNRD2 4441/4885
US-20200124613-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, VIP, ANPEP TXNRD1 4121/4885TXNRD3 4623/4885TXNRD2 4441/4885
US-20220091130-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, ANPEP, VIP TXNRD1 4289/4885TXNRD3 4651/4885TXNRD2 4497/4885

“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.

Send feedback