Bromide

Bromide

SCHEMBL3853590

Br.COc1cccc(C(=O)CN2C=CN(C)C2)c1

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
CHRM2 known ✓ P08172 1/20 0.48
CHRM3 known ✓ P20309 1/20 0.48
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 1/20 0.53
CDYL2 Q8N8U2 4/20 0.48
CDYL Q9Y232 4/20 0.48
CDY1; CDY1B Q9Y6F8 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CHRM1 P11229 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CBX7 O95931 2/20 0.47
LMNA P02545 1/20 0.47
GRIN2B Q13224 1/20 0.47
MEN1 O00255 1/20 0.47

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 SCHEMBL10526720 1.00 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL10531109 0.99 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL10528594 0.97 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2POLB
Iodide SCHEMBL10531088 0.97 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2POLB
Phosphoric Acid SCHEMBL10529465 0.94 MAPT (0.47) NPC1RAB9AMAPTSMN1; SMN2POLB
Bromide SCHEMBL10528609 0.88 RAB9A (0.44) NPC1RAB9AMAPTSMN1; SMN2POLB
Bromide SCHEMBL10528514 0.87 MAPT (0.40) NPC1RAB9AMAPTSMN1; SMN2POLB
Bromide SCHEMBL6074281 0.86 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL10529177 0.86 RAB9A (0.44) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL28841345 0.85 MAPT (0.41) MAPTPOLBTP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213282-A1 Substituted imidazolium salts and their use for the inhibition of protein ageing. ALTEON Inc. (US) 2002-06-12 EP claimed
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
US-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 US disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-7432254-B2 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 US disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 US disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
US-20040198795-A1 Substituted imidazoliums and methods of use therefor SYNVISTA THERAPEUTICS, INC. 2004-10-07 US disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 US disclosed
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID SYNVISTA THERAPEUTICS, INC. 2002-11-28 US disclosed
US-20020160993-A1 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. 2002-10-31 US disclosed
EP-1213282-A1 Substituted imidazolium salts and their use for the inhibition of protein ageing. ALTEON Inc. (US) 2002-06-12 EP disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 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 (9 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 CHRM2 1000/4885CHRM3 1444/4885NPC1 283/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 CHRM2 88/4885CHRM3 31/4885NPC1 116/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 CHRM2 669/4885CHRM3 740/4885NPC1 205/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 CHRM2 76/4885CHRM3 596/4885NPC1 408/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 CHRM2 1287/4885CHRM3 1335/4885NPC1 530/4885
US-20040198795-A1 Substituted imidazoliums and methods of use therefor AGER, NOTUM, IDE CHRM2 4042/4885CHRM3 4070/4885NPC1 3879/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 CHRM2 835/4885CHRM3 1311/4885NPC1 347/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX CHRM2 52/4885CHRM3 307/4885NPC1 598/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 CHRM2 552/4885CHRM3 366/4885NPC1 515/4885

“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.