Bromide

Bromide

SCHEMBL3857939

Br.C=CC(=O)OCCNC(C)(C)c1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. 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
HTR1A known ✓ P08908 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
CHRM2 known ✓ P08172 1/20 0.35
CHRM3 known ✓ P20309 1/20 0.35
THRB P10828 2/20 0.49
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 6/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2880890 0.99 THRB (0.50) THRBALDH1A1KDM4ESMN1; SMN2GAA
Iodide SCHEMBL3861985 0.97 THRB (0.49) THRBALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL718579 0.97 THRB (0.49) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3861968 0.90 THRB (0.43) THRBALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL9794903 0.84 THRB (0.53) THRBALDH1A1KDM4ESMN1; SMN2GAA
Bromide SCHEMBL3858373 0.81 HTT (0.40) THRBALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL4401452 0.79 HTT (0.41) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Iodide SCHEMBL3858235 0.78 HTT (0.40) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL166561 0.78 HTT (0.40) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Bromide SCHEMBL11522557 0.77 TSHR (0.48) THRBALDH1A1KDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937733-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-12-30 EP claimed
US-7619033-B2 Continuous solution polymerization of vinyl-functional cationic monomers, hydrophobic vinyl monomers, and free radical initiator BOSTIK, INC. (US) 2009-11-17 US claimed
US-7592391-B2 Solution polymerizing vinyl-functional cationic monomers, hydrophobic vinyl monomers, vinyl monomers with linear or branched alkyl groups longer than 4 carbons, alkyl hydroxy, polyoxyalkylene, or other functional group, and a free radical initiator BOSTIK, INC. (US) 2009-09-22 US claimed
EP-1756182-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-02-18 EP claimed
EP-1937733-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER Bostik, Inc. (US) 2008-07-02 EP claimed
JP-2007529601-A 2007-10-25 JP claimed
EP-1539259-B1 WET WIPES COMPRISING ION TRIGGERABLE, CATIONIC POLYMERS KIMBERLY CLARK CO (US) 2007-07-25 EP claimed
WO-2007035495-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK, INC. (US) 2007-03-29 WO claimed
EP-1756182-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER Bostik, Inc. (US) 2007-02-28 EP claimed
US-7157389-B2 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-01-02 US claimed
WO-2005090422-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK, INC. (US) 2005-09-29 WO claimed
EP-1539259-A1 ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME Kimberly-Clark Worldwide, Inc. (US) 2005-06-15 EP claimed
EP-1539880-A1 IMPROVED ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME Kimberly-Clark Worldwide, Inc. (US) 2005-06-15 EP claimed
US-20040062791-A1 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. 2004-04-01 US claimed
WO-2004026354-A1 ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
WO-2004026351-A2 IMPROVED ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
WO-2004026958-A1 IMPROVED ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
WO-2004026352-A1 USE AS BINDER OF ION TRIGGERABLE, VINYL-BASED CATIONIC POLYMERS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
US-20040058606-A1 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. 2004-03-25 US claimed
US-20040055704-A1 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. 2004-03-25 US 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 (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-20040062791-A1 Ion triggerable, cationic polymers, a method of making same and items using same PWWP2B, DSG1, WDR1 HTR1A 4543/4885SLC6A3 2999/4885CHRM2 2205/4885

“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.