SCHEMBL3810591

SCHEMBL3810591

O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
PDE7A Q13946 2/20 0.45
PDE2A O00408 1/20 0.45
PDE5A O76074 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
PDE4A P27815 1/20 0.45
BLM P54132 1/20 0.45
PDE1B Q01064 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE7B Q9NP56 1/20 0.45
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL29538993 1.00 PTPRC (0.47) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL7408583 0.86 CA2 (0.44) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL31449980 0.86 CA2 (0.44) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL19552612 0.84 CA2 (0.55) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL31444137 0.82 PTPRC (0.47) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL23668294 0.80 ALDH1A1 (0.52) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL29403247 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4PDE7APDE2APDE5A
SCHEMBL31294301 0.80 ALDH1A1 (0.52) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL15976059 0.80 TDP1 (0.53) PTPRCS100A4ALDH1A1CYP3A4PDE7A
SCHEMBL452351 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4PDE7APDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603097-B Method for rapidly preparing 2-bromo-5-nitrobenzenesulfonyl chloride 安徽泽升科技股份有限公司 2024-06-18 CN claimed
CN-117603097-A Method for rapidly preparing 2-bromo-5-nitrobenzenesulfonyl chloride 安徽泽升科技股份有限公司 2024-02-27 CN claimed
US-12582660-B2 Inhibitors of the RAS oncoprotein, methods of making and methods of use thereof UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2026-03-24 US disclosed
US-20250136591-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2025-05-01 US disclosed
US-20250082614-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER CYTEIR THERAPEUTICS, INC. 2025-03-13 US disclosed
CN-114514023-B Methods of treating pancreatic cancer using RAD51 inhibitors 赛泰尔治疗公司 2025-01-14 CN disclosed
EP-3790541-B1 N-(3-(AZEPAN-1-YLSULFONYI)-PHENYL)-2-((2-((3-PHENYL)AMINO)-2-OXOETHYL)(METHYL)AMINO)-ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RAS ONCOPROTEIN INHIBITORS FOR THE TREATMENT OF CANCER UNIV LOUISVILLE RES FOUND INC (US) 2024-12-04 EP disclosed
US-20240360120-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2024-10-31 US disclosed
EP-3938358-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2024-10-02 EP disclosed
CN-114984003-B Aromatic sulfonamide derivatives 拜耳制药股份公司 2024-08-27 CN disclosed
US-12064419-B2 Methods of using RAD51 inhibitors for treatment of pancreatic cancer CYTEIR THERAPEUTICS, INC. (US) 2024-08-20 US disclosed
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 EP disclosed
EP-0384276-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
US-4008208-A Compositions having inhibited ability to promote platelet aggregation or fibrin clot formation THE UPJOHN COMPANY (US) 1977-02-15 US disclosed
US-3975371-A Aromatic azo sulfonylnitrene compounds THE UPJOHN COMPANY (US) 1976-08-17 US disclosed
US-3954583-A Photochemical process THE UPJOHN COMPANY (US) 1976-05-04 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 (6 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-12582660-B2 Inhibitors of the RAS oncoprotein, methods of making and methods of use thereof KRAS, NRAS, HRAS PTPRC 3064/4885S100A4 3278/4885ALDH1A1 1982/4885
US-20250082614-A1 METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER RAD51, MRE11, RAD52 PTPRC 3044/4885S100A4 2468/4885ALDH1A1 4466/4885
US-20250136591-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L PTPRC 3688/4885S100A4 2289/4885ALDH1A1 4493/4885
US-12064419-B2 Methods of using RAD51 inhibitors for treatment of pancreatic cancer RAD51, MRE11, RAD52 PTPRC 3044/4885S100A4 2468/4885ALDH1A1 4466/4885
US-20240360120-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L PTPRC 3688/4885S100A4 2289/4885ALDH1A1 4493/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 PTPRC 1097/4885S100A4 332/4885ALDH1A1 1865/4885

“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.