Bromide

Bromide

SCHEMBL9938546

CC(=N/c1c(C(C)C)cccc1C(C)C)/C(C)=N\c1c(C(C)C)cccc1C(C)C.[Br-].[Br-].[Ni+2]

nearest known ligand 0.46

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
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
LMNA P02545 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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 SCHEMBL1576200 1.00 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL6531420 0.96 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243698 0.96 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5354209 0.96 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243697 0.96 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL3693753 0.94 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL6357655 0.92 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL7053780 0.90 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL6355270 0.90 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2LMNA
Bromide SCHEMBL1539270 0.89 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793504-B2 Methods for cross coupling RECURIUM IP HOLDINGS, LLC (US) 2020-10-06 US claimed
US-20190202769-A1 METHODS FOR CROSS COUPLING RECURIUM IP HOLDINGS, LLC 2019-07-04 US claimed
EP-3504217-A1 METHODS FOR CROSS COUPLING Zeno Royalties & Milestones, LLC (US) 2019-07-03 EP claimed
WO-2018039232-A1 METHODS FOR CROSS COUPLING KALYRA PHARMACEUTICALS, INC. (US) 2018-03-01 WO claimed
US-10793504-B2 Methods for cross coupling RECURIUM IP HOLDINGS, LLC (US) 2020-10-06 US disclosed
US-20190202769-A1 METHODS FOR CROSS COUPLING RECURIUM IP HOLDINGS, LLC 2019-07-04 US disclosed
EP-3504217-A1 METHODS FOR CROSS COUPLING Zeno Royalties & Milestones, LLC (US) 2019-07-03 EP disclosed
WO-2018039232-A1 METHODS FOR CROSS COUPLING KALYRA PHARMACEUTICALS, INC. (US) 2018-03-01 WO disclosed
WO-2013041106-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS 11CO FOR CARBONYLATION REACTIONS IN THE PREPARATION OF RADIOPHARMACEUTICALS FOR PET IMAGING AARHUS UNIVERSITET (DK) 2013-03-28 WO disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 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 (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-20190202769-A1 METHODS FOR CROSS COUPLING F2, C5, C9 GABRA1 1696/4885GABRG2 1747/4885GABRB3 2273/4885
US-10793504-B2 Methods for cross coupling F2, C5, C9 GABRA1 1696/4885GABRG2 1747/4885GABRB3 2273/4885

“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.