Bromide

Bromide

SCHEMBL145328

CC(=O)c1cc[n+](C)cc1.[Br-]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
ACHE known ✓ P22303 1/20 0.40
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B1 P14061 1/20 0.43
APOBEC3A P31941 3/20 0.42
APOBEC3G Q9HC16 3/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
HDAC8 Q9BY41 3/20 0.40
MAPK1 P28482 2/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL30505 0.97 HPGD (0.46) HPGDMAPTL3MBTL1LMNARAB9A
Hydrochloric Acid SCHEMBL152518 0.95 HPGD (0.44) HPGDMAPTL3MBTL1LMNARAB9A
Iodide SCHEMBL10670645 0.95 APOBEC3A (0.46) HPGDMAPTL3MBTL1LMNARAB9A
SCHEMBL1712117 0.95 HPGD (0.44) HPGDMAPTL3MBTL1LMNARAB9A
Acetic Acid SCHEMBL145430 0.91 MAPK1 (0.47) HPGDMAPTL3MBTL1LMNARAB9A
SCHEMBL4830772 0.87 MAPK1 (0.53) HPGDMAPTL3MBTL1LMNARAB9A
SCHEMBL6553185 0.85 USP2 (0.40) HPGDMAPTL3MBTL1LMNARAB9A
Sulfuric Acid SCHEMBL140509 0.85 USP2 (0.40) HPGDMAPTL3MBTL1LMNARAB9A
Sulfuric Acid SCHEMBL140508 0.85 USP2 (0.40) HPGDMAPTL3MBTL1LMNARAB9A
P-Cresol SCHEMBL2429491 0.82 HSD17B1 (0.52) HPGDMAPTLMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 EP claimed
EP-2429483-B1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-11-25 EP claimed
EP-2429484-B1 HAIR CARE AGENT CONTAINING ACETYLPYRIDINIUM SALTS HENKEL AG & CO KGAA (DE) 2015-03-25 EP claimed
EP-2315576-B1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO KGAA (DE) 2013-12-25 EP claimed
US-8273332-B2 Hair care product containing acetylpyridinium salts HENKEL AG & CO. KGAA (DE) 2012-09-25 US claimed
US-8246938-B2 Hair care agent containing acetylpyridinium salts HENKEL AG & CO. KGAA (DE) 2012-08-21 US claimed
US-20120121528-A1 Hair Care Agent Containing Acetylpyridinium Salts HENKEL AG & CO. KGAA (DE) 2012-05-17 US claimed
US-8137412-B2 Bleaching with concomitant hair tonicizing HENKEL AG & CO. KGAA (DE) 2012-03-20 US claimed
US-20120058071-A1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS GROSS WIBKE (DE) 2012-03-08 US claimed
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing HENKEL AG & CO. KGAA (DE) 2011-09-29 US claimed
US-8021438-B2 Cationic acylpyridinium derivatives for use as bleach activators HENKEL AG & CO. KGAA (DE) 2011-09-20 US claimed
US-7981166-B2 Bleaching agent having cationic acyl pyridinium derivatives, co-bleaching activators and hydrogen peroxide HENKEL AG & CO. KGAA (DE) 2011-07-19 US claimed
WO-2011082848-A2 ANTIBACTERIAL AND BLEACHING ORAL AND DENTAL HYGIENE AND CLEANING AGENT II HENKEL AG & CO. KGAA (DE) 2011-07-14 WO claimed
US-20110146006-A1 CATIONIC ACYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2011-06-23 US claimed
EP-2315576-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS Henkel AG & Co. KGaA (DE) 2011-05-04 EP claimed
US-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2011-03-03 US claimed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO claimed
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
WO-2010022996-A1 CATIONIC ACETYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS HENKEL AG & CO. KGAA (DE) 2010-03-04 WO disclosed
WO-2010015441-A1 MATTING ADDITIVE FOR BLOND HAIR DYING HENKEL AG & CO. KGAA (DE) 2010-02-11 WO 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 (5 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-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE F12, KRT18, H1-3 ACHE 745/4885HPGD 1977/4885MAPT 3525/4885
US-20120058071-A1 HAIR CARE PRODUCT CONTAINING ACETYLPYRIDINIUM SALTS KAT7, EP300, CUTA ACHE 739/4885HPGD 1309/4885MAPT 964/4885
US-20120121528-A1 Hair Care Agent Containing Acetylpyridinium Salts KAT7, EP300, HDAC7 ACHE 811/4885HPGD 740/4885MAPT 690/4885
US-20110146006-A1 CATIONIC ACYLPYRIDINIUM DERIVATIVES FOR USE AS BLEACH ACTIVATORS KRT18, AADAC, KAT7 ACHE 487/4885HPGD 2494/4885MAPT 974/4885
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing KRT18, KAT7, KAT2B ACHE 420/4885HPGD 2068/4885MAPT 1361/4885

“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.