Benzethonium

Benzethonium

SCHEMBL927612

CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Br-]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Benzethonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 2/20 0.98
CHRM4 known ✓ P08173 2/20 0.98
CHRM5 known ✓ P08912 2/20 0.98
CHRM1 known ✓ P11229 2/20 0.98
CHRM3 known ✓ P20309 2/20 0.98
ACHE known ✓ P22303 2/20 0.98
OPRM1 known ✓ P35372 1/20 0.98
SMN1; SMN2 Q16637 6/20 0.98
HIF1A Q16665 5/20 0.98
LMNA P02545 4/20 0.98
ALDH1A1 P00352 4/20 0.98
CYP3A4 P08684 4/20 0.98
TSHR P16473 3/20 0.98
TDP1 Q9NUW8 3/20 0.98
MEN1 O00255 3/20 0.98
APAF1 O14727 3/20 0.98
USP2 O75604 3/20 0.98
TP53 P04637 3/20 0.98
MAPT P10636 3/20 0.98
RAD52 P43351 3/20 0.98

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
Benzethonium SCHEMBL122985 0.99 SMN1; SMN2 (1.00) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL21713 0.98 SMN1; SMN2 (1.00) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL1951703 0.98 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL1282115 0.98 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL1672928 0.98 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL4418328 0.98 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL27797280 0.98 SMN1; SMN2 (1.00) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL5549294 0.98 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL22711570 0.98 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4
Benzethonium SCHEMBL976363 0.97 SMN1; SMN2 (0.98) SMN1; SMN2HIF1ALMNAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340726-A Aqueous suspension composition containing sirolimus or salt thereof 参天制药株式会社 2024-07-16 CN claimed
CN-114845714-B Aqueous suspension composition containing sirolimus or salt thereof 参天制药株式会社 2024-05-14 CN claimed
CN-117858620-A Antimicrobial combinations 西姆莱斯有限公司 2024-04-09 CN claimed
WO-2024015764-A1 3,5-DIIODOTHYROPROPIONIC ACID COMPOSITIONS AND METHODS OF USE THEREOF PriZm, LLC (US) 2024-01-18 WO claimed
US-20240009157-A1 3,5-DIIODOTHYROPROPIONIC ACID COMPOSITIONS AND METHODS OF USE THEREOF DEXCEL PHARMA TECHNOLOGIES LTD. (IL) 2024-01-11 US claimed
CN-116445426-A Composition capable of inactivating coronavirus based on nine-component-Emei extract and application thereof 肖玮双 2023-07-18 CN claimed
CN-116122057-A High-strength cold-resistant textile for aerospace use and manufacturing method thereof 西京学院 2023-05-16 CN claimed
CN-107750124-B Antimicrobial compositions and methods for reducing microbial contamination 波利维逊有限公司 2022-10-28 CN claimed
US-20220313598-A1 Antimicrobial Compositions and Methods For Reducing Microbial Contamination POLYVATION B.V. (NL) 2022-10-06 US claimed
US-11291625-B2 Antimicrobial compositions and methods for reducing microbial contamination POLYVATION B.V. (NL) 2022-04-05 US claimed
US-20170216196-A1 SILDENAFIL SUBLINGUAL SPRAY FORMULATIONS BENUVIA OPERATIONS, LLC 2017-08-03 US claimed
US-20170216199-A1 EPINEPHRINE SPRAY FORMULATIONS HIKMA PHARMACEUTICALS USA INC. 2017-08-03 US claimed
US-9662334-B2 Sildenafil sublingual spray formulations INSYS DEVELOPMENT COMPANY, INC. (US) 2017-05-30 US claimed
WO-2016178578-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR REDUCING MICROBIAL CONTAMINATION POLYVATION B.V. (NL) 2016-11-10 WO claimed
WO-2016161397-A1 SILDENAFIL SUBLINGUAL SPRAY FORMULATIONS INSYS DEVELOPMENT COMPANY, INC. (US) 2016-10-06 WO claimed
US-20160287593-A1 SILDENAFIL SUBLINGUAL SPRAY FORMULATIONS BENUVIA OPERATIONS, LLC 2016-10-06 US claimed
US-20090324737-A1 Antimicrobial And Sporicidal Composition PHARMULATIONS, L.C. 2009-12-31 US claimed
US-20080095861-A1 Antimicrobial and sporicidal composition PHARMULATIONS, L.C. 2008-04-24 US claimed
US-20040058878-A1 Antimicrobial and sporicidal composition PHARMULATIONS, L.C. 2004-03-25 US claimed
WO-2003061610-A1 ANTIMICROBIAL AND SPORICIDAL COMPOSITION WALKER EDWARD B (US) 2003-07-31 WO claimed

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-20170216199-A1 EPINEPHRINE SPRAY FORMULATIONS ADRA2C, ADRB3, ADRB2 CHRM2 169/4885CHRM4 304/4885CHRM5 72/4885
US-11291625-B2 Antimicrobial compositions and methods for reducing microbial contamination CUTA, VNN1, NACA CHRM2 4794/4885CHRM4 4690/4885CHRM5 4477/4885
US-20220313598-A1 Antimicrobial Compositions and Methods For Reducing Microbial Contamination CUTA, VNN1, NACA CHRM2 4794/4885CHRM4 4690/4885CHRM5 4477/4885

“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.