SCHEMBL2214769

SCHEMBL2214769

O=[N+]([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.52
▸ HTT P42858 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA5A P35218 3/20 0.46
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CA1 P00915 5/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CA3 P07451 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA13 Q8N1Q1 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43

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
SCHEMBL816810 0.95 HTT (0.48) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL2055461 0.88 ALDH1A1 (0.46) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL15122462 0.86 KMT2A (0.42) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL20248063 0.86 KMT2A (0.42) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL2820707 0.86 ACP1 (0.43) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL4443081 0.85 CYP19A1 (0.62) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL23113418 0.82 HTT (0.42) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL16829550 0.82 PTGS1 (0.46) HTTKMT2AGAAALDH1A1LMNA
SCHEMBL2310139 0.82 VCAM1 (0.65) CYP19A1HTTKMT2AGAAALDH1A1
SCHEMBL17593373 0.82 ALDH1A1 (0.46) HTTKMT2AGAAALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745247-A Novel dye intermediate, novel dye and preparation method thereof 湖北丽源科技股份有限公司 2021-05-04 — — CN claimed
US-12559455-B2 Compound as a UBR box domain ligand AUTOTAC INC. (KR) 2026-02-24 — — US disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 — — US disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 — — US disclosed
WO-2023074936-A1 BIFUNCTIONAL COMPOUND USING UBR BOX DOMAIN-BINDING LIGAND 주식회사 오토텍바이오 2023-05-04 — — WO disclosed
EP-4144722-A1 COMPOUND AS UBR BOX DOMAIN LIGAND Autotac Inc. (KR) 2023-03-08 — — EP disclosed
CN-115715285-A Compounds as UBR box domain ligands 奧土择破利悟 2023-02-24 — — CN disclosed
CN-112745247-A Novel dye intermediate, novel dye and preparation method thereof 湖北丽源科技股份有限公司 2021-05-04 — — CN disclosed
CN-107556356-B Method for synthesizing vidarabine 新乡拓新药业股份有限公司 2020-07-10 — — CN disclosed
WO-2018104307-A1 AROMATIC SULFONAMIDE DERIVATIVES AND THEIR USE AS ANATAGON I STS OR NEGATIVE ALLOSTERIC MODULATORS OF P2X4 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-14 — — WO disclosed
US-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-02-12 — — US disclosed
US-6677349-B1 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 — — US disclosed
EP-1198233-A4 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 — — EP disclosed
EP-1198233-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 — — EP disclosed
US-6331539-B1 INDUCE BIOSYNTHESIS OF INTERFERON ALPHA IN ANIMALS 3M INNOVATIVE PROPERTIES COMPANY 2001-12-18 — — US disclosed
WO-2000076519-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 — — WO disclosed
EP-0288824-B1 AROMATIC DIAMINES CONTAINING SULFONIC ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYURETHANE POLYMERS BAYER AG (DE) 1993-08-25 — — EP disclosed
US-4897423-A Dinitrobenzenesulfonamides MERCK & CO. INC. (US) 1990-01-30 — — US disclosed
US-4797427-A ESTERIFICATION, HYDROGENATION BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 — — US disclosed
US-3996000-A USING THE EXHAUSTION PROCESS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 — — 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-20040029877-A1 Sulfonamide and sulfamide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 CYP19A1 2116/4885HTT 4606/4885KMT2A 443/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF CYP19A1 2912/4885HTT 258/4885KMT2A 1391/4885
US-12559455-B2 Compound as a UBR box domain ligand UBR4, UBTF, UBQLN1 CYP19A1 4102/4885HTT 286/4885KMT2A 574/4885

“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.

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