Bromide

Bromide

SCHEMBL1885409

Br.CCN1C=CN(c2ccc(C)cc2C)C1

nearest known ligand 0.38

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
NPSR1 Q6W5P4 1/20 0.37
C5AR1 P21730 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 3/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
COMT P21964 1/20 0.32

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
SCHEMBL18138107 0.82 NPSR1 (0.46) NPSR1ALDH1A1MAPTMCOLN3MEN1
Iodide SCHEMBL28684985 0.81 NPSR1 (0.44) NPSR1ALDH1A1MAPTMCOLN3MEN1
Bromide SCHEMBL1883117 0.78
SCHEMBL19901148 0.78 SMN1; SMN2 (0.39) ALDH1A1MAPTMEN1KMT2A
Bromide SCHEMBL1884091 0.76 ALDH1A1 (0.34) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18538762 0.75 NPSR1 (0.40) NPSR1CYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL13490255 0.75 NPSR1 (0.40) NPSR1ALDH1A1MAPTMCOLN3MEN1
SCHEMBL27984044 0.74 ALDH1A1 (0.35) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27877227 0.70 ALDH1A1 (0.32) NPSR1ALDH1A1MAPT
Bromide SCHEMBL1883049 0.68 SMN1; SMN2 (0.43) CYP3A4CYP2C19DRD2ALDH1A1MAPT

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 NPSR1 414/4885C5AR1 690/4885CYP3A4 320/4885

“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.