Bromide

Bromide

SCHEMBL3593928

CCCCOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.47

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
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PPARG P37231 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LTA4H P09960 1/20 0.41
HRH1 P35367 2/20 0.41
HIF1A Q16665 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
PRKCD Q05655 1/20 0.40
PAK1 Q13153 1/20 0.40

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 SCHEMBL10383607 0.94 CYP3A4 (0.44) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
Bromide SCHEMBL10383345 0.94 CYP3A4 (0.44) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
Bromide SCHEMBL4171091 0.92 SLC6A2 (0.47) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
Bromide SCHEMBL4183772 0.85 L3MBTL1 (0.50) L3MBTL1MAPTATMALDH1A1NPSR1
Bromide SCHEMBL9442317 0.84 KCNA3 (0.50) CYP1A2CYP2C9L3MBTL1MAPTHPGD
Bromide SCHEMBL5829383 0.84 L3MBTL1 (0.42) CYP1A2CYP2C9L3MBTL1MAPTHPGD
Bromide SCHEMBL8904102 0.82 PPARG (0.40) CYP1A2CYP2C9CYP2C19L3MBTL1MAPT
Hydrochloric Acid SCHEMBL7874554 0.82 L3MBTL1 (0.50) L3MBTL1MAPTATMALDH1A1NPSR1
Water SCHEMBL4390658 0.82 L3MBTL1 (0.50) L3MBTL1MAPTATMALDH1A1NPSR1
Bromide SCHEMBL3697333 0.82 TLR8 (0.42) MAPTPTGESALOX5PPARGLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA CYP1A2 692/4885CYP2C9 429/4885CYP2C19 459/4885

“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.