Bromide

Bromide

SCHEMBL1006745

O=C(O)CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.69

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
TSHR P16473 2/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46

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 SCHEMBL27033104 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL27033077 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL711677 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL3437057 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL8091612 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL1449856 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL2854923 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL5573865 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL20541362 1.00 TSHR (0.69) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL29484169 0.98 TSHR (0.71) TSHRALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560395-B2 Azithromycin derivatives containing a phosphonium ion as anticancer agents RISING TIDE FOUND (CH) 2023-01-24 US disclosed
EP-3612543-B1 AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTICANCER AGENTS RISING TIDE FOUND (CH) 2022-11-23 EP disclosed
US-20200131208-A1 TRIPHENYLPHOSPHONIUM-TETHERED TETRACYCLINES FOR USE IN TREATING CANCER RISING TIDE FOUNDATION FOR CLINICAL CANCER RESEARCH (CH) 2020-04-30 US disclosed
EP-3612543-A1 AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTICANCER AGENTS Rising Tide Foundation (CH) 2020-02-26 EP disclosed
EP-3612540-A1 TRIPHENYLPHOSPHONIUM-TETHERED TETRACYCYCLINES FOR USE IN TREATING CANCER Rising Tide Foundation (CH) 2020-02-26 EP disclosed
CN-110799516-A Azithromycin derivatives containing phosphonium ions as anticancer agents 来兴泰德基金会 2020-02-14 CN disclosed
WO-2019234228-A1 BETA-AMINO-ALPHA-HYDROXYALKYLPHENYL DERIVATIVES AND THEIR USE FOR CANCER TREATMENT RISING TIDE FOUNDATION (CH) 2019-12-12 WO disclosed
WO-2018193117-A1 AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTICANCER AGENTS NOVINTUM BIOTECHNOLOGY GMBH (CH) 2018-10-25 WO disclosed
WO-2018193114-A1 TRIPHENYLPHOSPHONIUM-TETHERED TETRACYCYCLINES FOR USE IN TREATING CANCER NOVINTUM BIOTECHNOLOGY GMBH (CH) 2018-10-25 WO disclosed
EP-2280935-B1 4-TRIMETHYLAMMONIO-BUTYRATES AS CPT2 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
US-5334736-A Functionalizing carbohydrate derivatives by base-induced β-eliminatiom forming bioactive derivatives containing hydroxy-diene subunits UNIVERSITY OF TEXAS SYSTEM BOARD OF REGENTS (US) 1994-08-02 US disclosed
US-5278171-A Anticholesterol, antilipemic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-01-11 US disclosed
EP-0506072-A1 Novel azadecalin amides and thioamides as inhibitors of cholesterol biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1992-09-30 EP disclosed
US-5084461-A Anticholesterol agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-28 US disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP disclosed
US-3987087-A ANTI-ULCER, NASAL PATENCY, WOUND HEALING, LABOR INDUCEMENT THE UPJOHN COMPANY (US) 1976-10-19 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 (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-20200131208-A1 TRIPHENYLPHOSPHONIUM-TETHERED TETRACYCLINES FOR USE IN TREATING CANCER TET1, PHOSPHO1, TET3 TSHR 1922/4885ALDH1A1 4170/4885CYP1A2 4220/4885
US-11560395-B2 Azithromycin derivatives containing a phosphonium ion as anticancer agents NUP205, PHPT1, PHOSPHO1 TSHR 3313/4885ALDH1A1 4622/4885CYP1A2 4605/4885

“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.