Bromide

Bromide

SCHEMBL814475

CCc1cccc(CC)c1NCCN(C)CCNc1c(C)cc(C)cc1C.[Br-].[Br-].[Co+2]

nearest known ligand 0.41

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 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
RAPGEF4 Q8WZA2 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35
CRHR1 P34998 1/20 0.34
ALOX12 P18054 2/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 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 SCHEMBL813522 0.97 GAA (0.39) GAARAPGEF4ALDH1A1MAPTKDM4E
Bromide SCHEMBL813369 0.90 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDALOX15
Bromide SCHEMBL813304 0.88 KCNH2 (0.39) GAAALDH1A1MAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL814052 0.87 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDALOX15
Bromide SCHEMBL814981 0.87 RAPGEF4 (0.40) GAARAPGEF4MAPTHTTCRHR1
Bromide SCHEMBL813558 0.86 RAPGEF4 (0.35) RAPGEF4HPGDCYP3A4
Hydrochloric Acid SCHEMBL813519 0.85 KCNH2 (0.39) ALDH1A1MAPTKDM4EHPGDALOX15
Bromide SCHEMBL813103 0.85 RAPGEF4 (0.41) GAARAPGEF4ALDH1A1MAPTHPGD
Bromide SCHEMBL812790 0.84 RAPGEF4 (0.41) GAARAPGEF4ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL815303 0.84 RAPGEF4 (0.40) GAARAPGEF4MAPTHTTCRHR1

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 8 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
EP-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 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-20040266961-A1 Catalyst composition II MLX, CBX2, BMX GAA 3583/4885RAPGEF4 4437/4885ALDH1A1 4593/4885

“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.