SCHEMBL6543155

SCHEMBL6543155

Cc1cccc([N+](=O)[O-])c1.O=S(=O)(Cl)Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.81
ACHE P22303 1/20 0.81
LMNA P02545 1/20 0.57
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA2 P00918 2/20 0.51
CA5A P35218 1/20 0.51
NFE2L2 Q16236 1/20 0.50
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15 P16050 1/20 0.48
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL92055 0.90 TSHR (1.00) TSHRACHELMNAKMT2AGAA
SCHEMBL31183022 0.90 TSHR (1.00) TSHRACHELMNAKMT2AGAA
SCHEMBL2486973 0.90 TSHR (1.00) TSHRACHELMNAKMT2AGAA
Bromide SCHEMBL27319679 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA
SCHEMBL32667964 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA
Methane SCHEMBL27860742 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA
SCHEMBL9734443 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA
SCHEMBL9734192 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA
Hydrochloric Acid SCHEMBL11149191 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA
Ammonia Solution, Strong SCHEMBL27653572 0.88 TSHR (0.96) TSHRACHELMNAKMT2AGAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109516987-B Preparation method of avibactam intermediate 江西富祥药业股份有限公司 2020-07-24 CN claimed
CN-109516987-A A kind of AVM hereinafter Batan centre preparation 江西富祥药业股份有限公司 2019-03-26 CN claimed
CN-109516987-B Preparation method of avibactam intermediate 江西富祥药业股份有限公司 2020-07-24 CN disclosed
CN-107805212-A A kind of preparation method of the aminobenzene sulfonamide of 2 methyl 5 宿迁德威化工有限公司 2018-03-16 CN disclosed
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
CN-104829542-A Aniline pyrimidine compound, preparation method and medicinal application thereof SHANGHAI INST MATERIA MEDICA 2015-08-12 CN disclosed
CN-103492028-A Novel sulfonaminoquinoline hepcidin antagonists VIFOR INT AG 2014-01-01 CN disclosed
CN-102791709-A Arylsulfonamide pyridine-pyridinone derivatives, preparation of same, and therapeutic use thereof SANOFI AVENTIS 2012-11-21 CN disclosed
CN-100351243-C Peptide nucleic acid oligomers from 1-benzenesulfonyl-3-amino acid side chain-4- (2-nucleobase acetyl) -piperazin-2-one PANAGENE INC (KR) 2007-11-28 CN disclosed
CN-1749244-A Refining method of aromatic benzene sulfonyl chloride KANGAITE WEIXUN PENGLAI CHEMIS (CN) 2006-03-22 CN disclosed
CN-1745087-A Novel tricyclic azepine derivatives, method for production therof and pharmaceutical compositions comprising the same SERVIER LAB (FR) 2006-03-08 CN disclosed
CN-1642923-A Peptide nucleic acid oligomers from 1-benzenesulfonyl-3-amino acid side chain-4-(2-nucleobase(acetyl))-piperazin-2-ones PANAGENE INC (KR) 2005-07-20 CN disclosed
US-20040266766-A1 Selective urokinase inhibitors WILEX AG (DE) 2004-12-30 US disclosed
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 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-20040266766-A1 Selective urokinase inhibitors PLAU, PLAUR, SERPINE1 TSHR 2812/4885ACHE 3446/4885LMNA 3631/4885

“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.