Bromide

Bromide

SCHEMBL814293

Cc1cccc(C)c1NCCNCCNc1c(C(C)C)cc(C(C)C)cc1C(C)C.[Br-].[Br-].[Co+2]

nearest known ligand 0.34

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
MAPK1 P28482 1/20 0.34
NLRP3 Q96P20 1/20 0.33
CARM1 Q86X55 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SOAT2 O75908 1/20 0.31
MYC P01106 1/20 0.31
SOAT1 P35610 1/20 0.31
MAP2K3 P46734 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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 SCHEMBL813065 0.97 MAPK1 (0.34) MAPK1NLRP3CARM1MAPTHTT
Bromide SCHEMBL820820 0.90 MAPK1 (0.35) MAPK1NLRP3CARM1MAPTHTT
Bromide SCHEMBL813566 0.88 MAPK1 (0.43) MAPK1NLRP3CARM1MAPTHTT
Bromide SCHEMBL813833 0.88 GABRA1 (0.37) GABRA1GABRB2
Bromide SCHEMBL813733 0.87 RAPGEF4 (0.32) CARM1GABRA1GABRB2
Hydrochloric Acid SCHEMBL814290 0.87 MAPK1 (0.35) MAPK1NLRP3CARM1MAPTHTT
Hydrochloric Acid SCHEMBL814062 0.85 MAPK1 (0.43) MAPK1NLRP3MAPTHTTALOX12
Bromide SCHEMBL813638 0.85 MEN1 (0.36) MAPK1NLRP3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL814441 0.85 GABRA1 (0.37) GABRA1GABRB2
Hydrochloric Acid SCHEMBL813590 0.84 RAPGEF4 (0.32) CARM1GABRA1GABRB2

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 MAPK1 4372/4885NLRP3 919/4885CARM1 2036/4885

“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.