Bromide

Bromide

SCHEMBL1443516

Br.NCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

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
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
PTPN1 P18031 1/20 0.62
GSK3B P49841 1/20 0.62
RAB9A P51151 5/20 0.60
FFAR1 O14842 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
HIF1A Q16665 1/20 0.60
HPGD P15428 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
HAO1 Q9UJM8 1/20 0.58
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.56
USP2 O75604 1/20 0.56
AGTR1 P30556 1/20 0.53
SRD5A2 P31213 1/20 0.52
NPC1 O15118 3/20 0.51

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
SCHEMBL8744738 0.98 SMN1; SMN2 (0.64) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Hydrochloric Acid SCHEMBL1533600 0.96 SMN1; SMN2 (0.62) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL883159 0.89 SMN1; SMN2 (0.50) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Hydrochloric Acid SCHEMBL690938 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Bromide SCHEMBL19378722 0.87 MAPT (0.61) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL10337516 0.84 MAPT (0.64) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL45515 0.84 MAPT (0.64) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL9683457 0.83 MAPK13 (0.55) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Hydrochloric Acid SCHEMBL194804 0.82 MAPT (0.61) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Water SCHEMBL18694848 0.82 MAPT (0.61) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B

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 SMN1; SMN2 4750/4885MAPT 4151/4885L3MBTL1 3205/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS SMN1; SMN2 4750/4885MAPT 4151/4885L3MBTL1 3205/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS SMN1; SMN2 4750/4885MAPT 4151/4885L3MBTL1 3205/4885

“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.