Bromide

Bromide

SCHEMBL678417

Br.PCCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

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 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.36
CHRM2 known ✓ P08172 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
KIF11 P52732 15/20 0.55
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
Bromide SCHEMBL3785728 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL31567979 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL28432235 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL11467778 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL10797449 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL678763 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL5092309 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL28639090 1.00 KIF11 (0.55) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3784063 0.98 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6653059 0.98 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563375-B1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RES LTD (US) 2014-06-25 EP claimed
US-20140080793-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RESEARCH, LTD. (US) 2014-03-20 US claimed
EP-2563375-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS Alcon Research, Ltd. (US) 2013-03-06 EP claimed
US-20110269719-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RESEARCH, LTD. 2011-11-03 US claimed
WO-2011137090-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RESEARCH, LTD. (US) 2011-11-03 WO claimed
US-9694021-B2 Pharmaceutical compositions with phosphonium antimicrobial agents ALCON RESEARCH, LTD (US) 2017-07-04 US disclosed
EP-2563375-B1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RES LTD (US) 2014-06-25 EP disclosed
US-20140080793-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RESEARCH, LTD. (US) 2014-03-20 US disclosed
EP-2563375-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS Alcon Research, Ltd. (US) 2013-03-06 EP disclosed
US-20110269719-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RESEARCH, LTD. 2011-11-03 US disclosed
WO-2011137090-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS ALCON RESEARCH, LTD. (US) 2011-11-03 WO disclosed
US-20080214386-A1 Stability; easily separated from solution; surface treatment of catalyst with Group seven compound; reacting epoxide with carbon dioxide NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-09-04 US disclosed
EP-0293006-B1 UN-NATURAL CERAMIDE RELATED COMPOUNDS AND PREPARATION THEREOF MECT CORPORATION (JP) 1991-06-12 EP disclosed
US-4880572-A Un-natural ceramide related compounds and preparation thereof MECT CORPORATION (JP) 1989-11-14 US disclosed
EP-0293006-A1 Un-natural ceramide related compounds and preparation thereof MECT CORPORATION (JP) 1988-11-30 EP 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 (2 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-20110269719-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS PHOSPHO1, EYA3, EYA2 SIGMAR1 1846/4885CHRM2 4701/4885CHRM3 4442/4885
US-20140080793-A1 PHARMACEUTICAL COMPOSITIONS WITH PHOSPHONIUM ANTIMICROBIAL AGENTS PHOSPHO1, EYA3, EYA2 SIGMAR1 1846/4885CHRM2 4701/4885CHRM3 4442/4885

“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.