Bromide

Bromide

SCHEMBL21293916

CCCCCCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1.[Br-]

nearest known ligand 0.58

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
CHRM2 known ✓ P08172 1/20 0.47
CHRM4 known ✓ P08173 1/20 0.47
CHRM5 known ✓ P08912 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.47
CHRM3 known ✓ P20309 1/20 0.47
ACHE known ✓ P22303 1/20 0.47
HSP90AA1 P07900 2/20 0.47
RAD52 P43351 2/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
PLA2G1B P04054 1/20 0.47
ERBB2 P04626 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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 SCHEMBL16445313 1.00 HSP90AA1 (0.47) HSP90AA1RAD52EGFRLMNAPLA2G1B
Bromide SCHEMBL574336 1.00 HSP90AA1 (0.47) HSP90AA1RAD52EGFRLMNAPLA2G1B
SCHEMBL5304009 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5301214 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5817318 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5295433 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5295972 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5813633 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5298450 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL5302619 0.99 ABCB11 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043636-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-07-23 US disclosed
US-20240002409-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES COVESTRO DEUTSCHLAND AG (DE) 2024-01-04 US disclosed
US-11760765-B2 Method for producing triarylorganoborates COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2023-09-19 US disclosed
US-20220002321-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES COVESTRO DEUTSCHLAND AG (DE) 2022-01-06 US disclosed
US-11078218-B2 Process for the production of triaryl organoborates COVESTRO DEUTSCHLAND AG (DE) 2021-08-03 US disclosed
US-20190276479-A1 PROCESS FOR THE PRODUCTION OF TRIARYL ORGANOBORATES COVESTRO DEUTSCHLAND AG (DE) 2019-09-12 US disclosed
US-20190263838-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES COVESTRO DEUTSCHLAND AG (DE) 2019-08-29 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 (7 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-20240002409-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES KMO, COASY, CYP3A4 CHRM2 2050/4885CHRM4 1051/4885CHRM5 1994/4885
US-11078218-B2 Process for the production of triaryl organoborates OR10J3, CYP4F3, CYP4B1 CHRM2 95/4885CHRM4 51/4885CHRM5 652/4885
US-12043636-B2 Method for producing triarylorganoborates KMO, COASY, CYP3A4 CHRM2 2050/4885CHRM4 1051/4885CHRM5 1994/4885
US-20190263838-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES CYP3A4, CYP3A43, CYP4B1 CHRM2 1830/4885CHRM4 916/4885CHRM5 1809/4885
US-20220002321-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES CYP3A4, CYP3A43, CYP4B1 CHRM2 1830/4885CHRM4 916/4885CHRM5 1809/4885
US-11760765-B2 Method for producing triarylorganoborates CYP3A4, CYP3A43, CYP4B1 CHRM2 1830/4885CHRM4 916/4885CHRM5 1809/4885
US-20190276479-A1 PROCESS FOR THE PRODUCTION OF TRIARYL ORGANOBORATES CYP1B1, CYP3A4, CYP4B1 CHRM2 2058/4885CHRM4 701/4885CHRM5 2221/4885

“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.