Bromide

Bromide

SCHEMBL6043492

B.Br.Br.Br.COC(C(=O)O)c1ccccc1

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 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
LMNA P02545 4/20 0.47
PPARA Q07869 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
RECQL P46063 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.45

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 SCHEMBL6042642 0.98 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL155984 0.96 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL104518 0.96 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL103235 0.96 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Methane SCHEMBL9122539 0.94 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL28215185 0.94 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6178991 0.94 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL38660904 0.94 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL6043499 0.88 KEAP1 (0.49) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Alcohol SCHEMBL2312710 0.88 PKM (0.49) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 ALDH1A1 2504/4885GAA 37/4885L3MBTL1 1516/4885

“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.