Bromide

Bromide

SCHEMBL1883012

Br.CCCN1C=CN(c2ccc(C)cc2)C1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 17)

geneUniProtsupporting neighboursconfidence
ADRB1 known ✓ P08588 1/20 0.31
DHFR P00374 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.32
RGS4 P49798 1/20 0.32
RGS8 P57771 1/20 0.32
ELANE P08246 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
CTRC Q99895 1/20 0.31

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
SCHEMBL27804646 0.88 RGS4 (0.40) DHFRMAPTNPSR1LMNATDP1
Bromide SCHEMBL1884725 0.87 GRM2 (0.40) MAPTNPSR1LMNAL3MBTL1GRM2
Bromide SCHEMBL1884091 0.86 ALDH1A1 (0.34) DHFRMAPTNPSR1LMNATDP1
SCHEMBL28283858 0.85 GRM2 (0.41) MAPTNPSR1LMNAL3MBTL1GRM2
SCHEMBL28285356 0.85 GRM2 (0.41) MAPTNPSR1LMNAL3MBTL1GRM2
SCHEMBL28283864 0.85 GRM2 (0.41) MAPTNPSR1LMNAL3MBTL1GRM2
Bromide SCHEMBL1887327 0.85 DHFR (0.34) DHFRMAPTLMNAGRM2HRH3
Bromide SCHEMBL1885290 0.85 KDM4E (0.39) MAPTGRM2ELANEALDH1A1
Bromide SCHEMBL1889477 0.85 HRH3 (0.33) NPSR1HRH3
Iodide SCHEMBL1885571 0.84 GRM2 (0.40) MAPTNPSR1LMNAL3MBTL1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 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 (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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 ADRB1 666/4885DHFR 2982/4885MAPT 3940/4885

“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.