Bromide

Bromide

SCHEMBL5547799

Br.CCCCCCCCCC(CCCCl)N1CCCCC1

nearest known ligand 0.40

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 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FDPS P14324 3/20 0.32
LTA4H P09960 1/20 0.31

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 SCHEMBL5550542 1.00 TSHR (0.40) TSHRALDH1A1HRH3MAPTL3MBTL1
Bromide SCHEMBL5551014 0.98 TSHR (0.41) TSHRALDH1A1HRH3MAPTL3MBTL1
Bromide SCHEMBL8346769 0.91 HRH3 (0.43) HRH3LTA4H
SCHEMBL22990875 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1
SCHEMBL21210881 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1
SCHEMBL23032896 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1
SCHEMBL22446838 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1
SCHEMBL22363315 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1
SCHEMBL18430268 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1
SCHEMBL18387974 0.89 HRH3 (0.39) ALDH1A1HRH3MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190021-A1 Poly(diallylamine)-based bile acid sequestrants HOLMES-FARLEY STEPHEN R 2007-08-16 US disclosed
US-7125547-B2 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION (US) 2006-10-24 US disclosed
US-20040151687-A1 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION 2004-08-05 US disclosed
US-6726905-B1 LOWERING SERUM PHOSPHATE GENZYME CORPORATION 2004-04-27 US disclosed
US-6610283-B1 Method for removing bile acids from a patient and certain polymers of use in the method. The method comprises the step of administering to the patient a therapeutically effective amount of a polymer composition which includes a a GENZYME CORPORATION 2003-08-26 US disclosed
US-6203785-B1 ADMINISTERING CROSSLINKED CATIONIC POLYMER ANTICHOLESTEROL AGENTS GELTEX PHARMACEUTICALS, INC. 2001-03-20 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-20070190021-A1 Poly(diallylamine)-based bile acid sequestrants NR1H4, SLC10A2, SLC10A1 TSHR 4075/4885ALDH1A1 2873/4885HRH3 108/4885
US-20040151687-A1 Poly(diallylamine)-based bile acid sequestrants NR1H4, SLC10A2, SLC10A1 TSHR 4388/4885ALDH1A1 2717/4885HRH3 286/4885

“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.