Bromide

Bromide

SCHEMBL813723

CCc1cccc(CC)c1NC(C)CNCC(C)Nc1c(CC)cccc1CC.[Br-].[Br-].[Co+2]

nearest known ligand 0.38

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 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SCN5A Q14524 4/20 0.37
KCNH2 Q12809 2/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ANPEP P15144 1/20 0.36
CACNA1C Q13936 3/20 0.36
CLCN2 P51788 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 2/20 0.33
NLRP3 Q96P20 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL813477 0.96 HTT (0.38) HTTSCN5AKCNH2GABRA1GABRB2
SCHEMBL11171049 0.84 HTT (0.42) HTTSCN5AKCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL11170992 0.82 HTT (0.41) HTTSCN5AKCNH2GABRA1GABRB2
SCHEMBL15494163 0.81 ANPEP (0.43) HTTSCN5AKCNH2GABRA1GABRB2
Bromide SCHEMBL813666 0.81 ALDH1A1 (0.31) CYP2C19ALDH1A1
Bromide SCHEMBL813697 0.81 HTT (0.37) HTTSCN5AKCNH2GABRA1GABRB2
SCHEMBL28705440 0.78 GABRA1 (0.43) HTTSCN5AKCNH2GABRA1GABRB2
Bromide SCHEMBL813674 0.78 ALOX12 (0.38) SCN5AKCNH2ANPEPCACNA1CALOX15
Hydrochloric Acid SCHEMBL814897 0.77 ALDH1A1 (0.31) CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL812576 0.77 ADRA2A (0.39) HTTSCN5AKCNH2GABRA1GABRB2

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-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US disclosed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 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 (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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX HTT 2677/4885SCN5A 2784/4885KCNH2 1889/4885

“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.