Bromide

Bromide

SCHEMBL4038829

Br.CCOC(=O)c1csc(N)n1.Nc1nc(C(=O)O)cs1

nearest known ligand 0.83

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
RAB9A P51151 8/20 0.83
MAPT P10636 7/20 0.83
NPC1 O15118 6/20 0.83
ALDH1A1 P00352 4/20 0.83
MEN1 O00255 1/20 0.83
KMT2A Q03164 1/20 0.83
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 3/20 0.49
PKM P14618 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSP90AA1 P07900 2/20 0.46
LMNA P02545 1/20 0.44

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 SCHEMBL3048612 0.94 RAB9A (0.94) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL220846 0.92 RAB9A (0.97) RAB9AMAPTNPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL16653815 0.91 RAB9A (1.00) RAB9AMAPTNPC1ALDH1A1MEN1
Bromide SCHEMBL1073577 0.82 ALDH1A1 (0.51) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL21962990 0.81 RAB9A (0.57) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL94064 0.80
SCHEMBL1136365 0.80 ALDH1A1 (0.74) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL14072172 0.80 RAB9A (0.72) RAB9AMAPTNPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27578394 0.79 ALDH1A1 (0.56) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL4717848 0.78 RAB9A (0.62) RAB9AMAPTNPC1ALDH1A1MEN1

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
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 WO 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 RAB9A 931/4885MAPT 3742/4885NPC1 3855/4885

“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.