Bromide

Bromide

SCHEMBL21293909

CC[N+](CC)(CC)Cc1cccc(C[N+](CC)(CC)CC)c1.[Br-].[Br-]

nearest known ligand 0.42

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
ACHE known ✓ P22303 4/20 0.37
CHRM2 known ✓ P08172 2/20 0.34
CHRM1 known ✓ P11229 1/20 0.34
CHRNA7 P36544 4/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
BCHE P06276 2/20 0.37
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL26248701 0.98 CYP1A2 (0.38) CHRNA7CHRNB4CHRNA3ACHEBCHE
SCHEMBL22422895 0.87 KDM4E (0.34) CHRNA7CHRNB4CHRNA3ACHEBCHE
Bromide SCHEMBL117943 0.83 KDM4E (0.52) CHRNA7CHRNB4CHRNA3ACHEBCHE
Bromide SCHEMBL653934 0.83 KDM4E (0.52) CHRNA7CHRNB4CHRNA3ACHEBCHE
SCHEMBL15344664 0.82 TSHR (0.41) CHRNA7CHRNB4CHRNA3CYP1A2KDM4E
Hydrochloric Acid SCHEMBL3641370 0.81 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3ACHEBCHE
Bromide SCHEMBL3641371 0.81 KDM4E (0.56) CHRNA7CHRNB4CHRNA3ACHEBCHE
Bromide SCHEMBL653935 0.81 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3ACHEBCHE
Water SCHEMBL3646710 0.81 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3ACHEBCHE
Bromide SCHEMBL3646711 0.81 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3ACHEBCHE

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-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-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 (6 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 ACHE 976/4885CHRM2 2050/4885CHRM1 1843/4885
US-11078218-B2 Process for the production of triaryl organoborates OR10J3, CYP4F3, CYP4B1 ACHE 2478/4885CHRM2 95/4885CHRM1 216/4885
US-12043636-B2 Method for producing triarylorganoborates KMO, COASY, CYP3A4 ACHE 976/4885CHRM2 2050/4885CHRM1 1843/4885
US-20190263838-A1 METHOD FOR PRODUCING TRIARYLORGANOBORATES CYP3A4, CYP3A43, CYP4B1 ACHE 534/4885CHRM2 1830/4885CHRM1 1749/4885
US-11760765-B2 Method for producing triarylorganoborates CYP3A4, CYP3A43, CYP4B1 ACHE 534/4885CHRM2 1830/4885CHRM1 1749/4885
US-20190276479-A1 PROCESS FOR THE PRODUCTION OF TRIARYL ORGANOBORATES CYP1B1, CYP3A4, CYP4B1 ACHE 1832/4885CHRM2 2058/4885CHRM1 1614/4885

“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.