SCHEMBL517079

SCHEMBL517079

NS(=O)(=O)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
VCAM1 P19320 1/20 0.45
PTGES2 Q9H7Z7 6/20 0.43
CA2 P00918 5/20 0.42
CA9 Q16790 4/20 0.42
CA5A P35218 3/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.42
NPY1R P25929 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL28312393 0.98 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP1A2CYP2D6VCAM1
SCHEMBL10452714 0.85 KMT2A (0.50) ALDH1A1CYP2C19CYP1A2CYP2C9LMNA
SCHEMBL9763798 0.84 HSP90AA1 (0.42) ALDH1A1CYP2C19CYP1A2CA2CA1
SCHEMBL6254627 0.82 GRIN2D (0.41) ALDH1A1CYP2C19CYP1A2CYP2D6CA2
SCHEMBL28829380 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP1A2CYP2C9LMNA
SCHEMBL30658731 0.81 HSP90AA1 (0.40) ALDH1A1CYP2C19CYP1A2CA2CA1
Hydrochloric Acid SCHEMBL11758752 0.81 GRIN2D (0.40) ALDH1A1CYP2C19CYP1A2CYP2D6CA2
SCHEMBL7531981 0.80 CA2 (0.59) ALDH1A1CYP2C19CYP1A2CYP2D6CA2
SCHEMBL31370978 0.80 CA2 (0.53) ALDH1A1CYP2C19CYP1A2CYP2D6CA2
SCHEMBL414795 0.80 GPR35 (0.56) ALDH1A1CYP2C19CYP1A2VCAM1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831648-A The synthetic method of diazoxiide 北京同济达药业有限公司 2017-06-13 CN claimed
CN-103570595-A Preparation method of 5-chlorine-2-aminobenzene sulfonamide SHANG ZHENHUA 2014-02-12 CN claimed
US-3935005-A Composition and method for stripping gold and silver AMERICAN CHEMICAL & REFINING COMPANY, INCORPORATED (US) 1976-01-27 US claimed
CN-106831648-B The synthetic method of diazoxiide 北京同济达药业有限公司 2019-03-12 CN disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
CN-106831648-A The synthetic method of diazoxiide 北京同济达药业有限公司 2017-06-13 CN disclosed
CN-103339111-B Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG (CH) 2015-12-16 CN disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
CN-103570595-A Preparation method of 5-chlorine-2-aminobenzene sulfonamide SHANG ZHENHUA 2014-02-12 CN disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
EP-0463993-B1 Process for the preparation of aminoanthraquinone derivatives CIBA SC HOLDING AG (CH) 2002-05-02 EP disclosed
US-5196553-A From bromaminic acid and a benzenesulfonamide or an amide, copper/I/ catalyst formed by in situ reduction of a copper/II/ salt, less copper required CIBA-GEIGY CORPORATION (US) 1993-03-23 US disclosed
EP-0463993-A1 Process for the preparation of aminoanthraquinone derivatives CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed
US-4483739-A Compositions and method for stripping gold from copper substrates OMI INTERNATIONAL CORPORATION (US) 1984-11-20 US disclosed
US-3935005-A Composition and method for stripping gold and silver AMERICAN CHEMICAL & REFINING COMPANY, INCORPORATED (US) 1976-01-27 US disclosed
US-3935005-A Composition and method for stripping gold and silver AMERICAN CHEMICAL & REFINING COMPANY, INCORPORATED (US) 1976-01-27 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885CYP2C19 300/4885CYP1A2 356/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885CYP2C19 300/4885CYP1A2 356/4885

“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.