Bromide

Bromide

SCHEMBL1443218

Br.NCC1COc2cc(C(=O)c3ccc4c(c3)OCC(CN)O4)ccc2O1

nearest known ligand 0.46

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
HTR1A known ✓ P08908 2/20 0.41
HTR1D known ✓ P28221 1/20 0.41
ADRA2A known ✓ P08913 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.38
ADRA1A known ✓ P35348 1/20 0.38
SRD5A2 P31213 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALOX5 P09917 2/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR2C P28335 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
MTNR1A P48039 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL9205808 0.78 DRD3 (0.50) CA2CA1SMN1; SMN2HTR1AALDH1A1
SCHEMBL9212878 0.78 DRD3 (0.50) CA2CA1SMN1; SMN2HTR1AALDH1A1
SCHEMBL9205771 0.78 DRD3 (0.50) CA2CA1SMN1; SMN2HTR1AALDH1A1
SCHEMBL28530585 0.75 TSHR (0.54) NPC1RAB9AALOX5MAPTHTT
SCHEMBL9116625 0.75 CA2 (0.55) RAB9ACA2CA1HTR1AADRA2A
SCHEMBL1117818 0.75 CA2 (0.62) NPC1RAB9ACA2CA1SMN1; SMN2
SCHEMBL13646391 0.75 CA2 (0.42) ALOX5HTTCA2CA1HTR1A
SCHEMBL438882 0.75 CA2 (0.62) NPC1RAB9ACA2CA1SMN1; SMN2
Bromide SCHEMBL11489853 0.74 ADRA2A (0.58) ALOX5HTTCA2HTR1AMTNR1A
SCHEMBL1546125 0.73 KDM4E (0.51) NPC1RAB9AMAPTHTTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 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 (3 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HTR1A 3897/4885HTR1D 3934/4885ADRA2A 4444/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HTR1A 3897/4885HTR1D 3934/4885ADRA2A 4444/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HTR1A 3897/4885HTR1D 3934/4885ADRA2A 4444/4885

“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.