SCHEMBL944057

SCHEMBL944057

O=[N+]([O-])c1cccc(SCl)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
GPR35 Q9HC97 2/20 0.53
PDE7A Q13946 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.41
S100A4 P26447 1/20 0.40
PDE7B Q9NP56 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39

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
SCHEMBL3192750 0.84 GPR35 (0.57) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL6930370 0.84 PDE7A (0.59) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL397345 0.82 PDE7A (0.56) TSHRPDE7ASMN1; SMN2TDP1ALDH1A1
SCHEMBL1967695 0.81 TDP1 (0.47) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL2009807 0.81 GPR35 (0.53) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL2588027 0.81 GPR35 (0.58) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL2588026 0.81 GPR35 (0.58) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL3192742 0.81 GPR35 (0.53) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL6930373 0.79 GPR35 (0.52) TSHRGPR35PDE7ASMN1; SMN2TDP1
SCHEMBL1926046 0.79 TSHR (0.71) TSHRGPR35SMN1; SMN2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745089-B1 ANTIPARASITIC AGENTS PFIZER LTD (GB) 1998-12-09 EP claimed
US-5723488-A Antiparasitic agents PFIZER INC. (US) 1998-03-03 US claimed
EP-0745089-A1 ANTIPARASITIC AGENTS Pfizer Limited (GB) 1996-12-04 EP claimed
WO-1995022552-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 1995-08-24 WO claimed
US-12578345-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-03-17 US disclosed
US-12379381-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-08-05 US disclosed
US-20240302380-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-09-12 US disclosed
US-20230107647-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-06 US disclosed
US-11435358-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-06 US disclosed
US-20220091130-A1 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-03-24 US disclosed
US-11162952-B2 Single molecule peptide sequencing BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-02 US disclosed
US-20210072251-A9 SINGLE MOLECULE PEPTIDE SEQUENCING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-03-11 US disclosed
US-5723488-A Antiparasitic agents PFIZER INC. (US) 1998-03-03 US disclosed
EP-0772622-A1 5'-DITHIO-MODIFIED OLIGONUCLEOTIDES AMGEN INC. (US) 1997-05-14 EP disclosed
EP-0745089-A1 ANTIPARASITIC AGENTS Pfizer Limited (GB) 1996-12-04 EP disclosed
WO-1996004295-A1 5'-DITHIO-MODIFIED OLIGONUCLEOTIDES AMGEN INC. (US) 1996-02-15 WO disclosed
WO-1995022552-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 1995-08-24 WO disclosed
US-4666500-A HERBICIDE MONSANTO COMPANY (US) 1987-05-19 US disclosed
US-4395374-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1983-07-26 US disclosed
EP-0055925-A2 Alkyl N-arylsulfenyl-N-diaryloxy-phosphinylmethylglycinates and their use as herbicides MONSANTO COMPANY (US) 1982-07-14 EP 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 (8 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-20230107647-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, ANPEP, VIP TSHR 3578/4885GPR35 1288/4885PDE7A 4441/4885
US-11435358-B2 Single molecule peptide sequencing QPCTL, ANPEP, VIP TSHR 3565/4885GPR35 1248/4885PDE7A 4436/4885
US-11162952-B2 Single molecule peptide sequencing MICA, ANPEP, VIP TSHR 4070/4885GPR35 2517/4885PDE7A 1958/4885
US-12379381-B2 Single molecule peptide sequencing MICA, ANPEP, DNPEP TSHR 1251/4885GPR35 2220/4885PDE7A 2205/4885
US-12578345-B2 Single molecule peptide sequencing SET, PTMS, MICA TSHR 152/4885GPR35 2497/4885PDE7A 2081/4885
US-20210072251-A9 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, VIP, ANPEP TSHR 3427/4885GPR35 1110/4885PDE7A 4462/4885
US-20240302380-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, ANPEP, VIP TSHR 3578/4885GPR35 1288/4885PDE7A 4441/4885
US-20220091130-A1 SINGLE MOLECULE PEPTIDE SEQUENCING QPCTL, ANPEP, VIP TSHR 3578/4885GPR35 1288/4885PDE7A 4441/4885

“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.