Bromide

Bromide

SCHEMBL2776934

Br.c1ccc(-c2cccc3c2Nc2ccccc2S3)cc1

nearest known ligand 0.53

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.53
SLC6A2 known ✓ P23975 1/20 0.53
SLC6A3 known ✓ Q01959 1/20 0.53
NOX1 Q9Y5S8 9/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 5/20 0.53
BCHE P06276 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SNCA P37840 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53

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
SCHEMBL1901331 0.98 NOX1 (0.55) NOX1MAPTGAABCHEACHE
SCHEMBL28514723 0.95 NOX1 (0.55) NOX1MAPTGAABCHEACHE
Boric Acid SCHEMBL28121620 0.92 NOX1 (0.48) NOX1MAPTGAABCHEACHE
SCHEMBL30274184 0.89 NOX1 (0.67) NOX1MAPTGAABCHEACHE
SCHEMBL10530491 0.89 NOX1 (0.67) NOX1MAPTGAABCHEACHE
SCHEMBL29242236 0.88 NOX1 (0.55) NOX1MAPTGAABCHEACHE
SCHEMBL5123335 0.85 MAPT (0.53) NOX1MAPTGAABCHEACHE
SCHEMBL21546029 0.85 NOX1 (0.48) NOX1MAPTGAABCHEACHE
SCHEMBL28255890 0.85 NOX1 (0.48) NOX1MAPTGAABCHEACHE
SCHEMBL27750897 0.85 NOX1 (0.48) NOX1MAPTGAABCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794858-B2 Phenylphenoxazine or phenylphenothiazine- based compound and organic electroluminescent device using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-09-14 US claimed
US-20090026928-A1 PHENYLPHENOXAZINE OR PHENYLPHENOTHIAZINE- BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-01-29 US claimed
US-7794858-B2 Phenylphenoxazine or phenylphenothiazine- based compound and organic electroluminescent device using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-09-14 US disclosed
US-20090026928-A1 PHENYLPHENOXAZINE OR PHENYLPHENOTHIAZINE- BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-01-29 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 (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-20090026928-A1 PHENYLPHENOXAZINE OR PHENYLPHENOTHIAZINE- BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME TYR, MITF, PPOX ACHE 1286/4885SLC6A2 111/4885SLC6A3 153/4885

“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.