Bromide

Bromide

SCHEMBL3845745

COc1cccc(C(=O)Cn2ccn(C)[c+]2C)c1.[Br-]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
CHRM1 known ✓ P11229 1/20 0.48
CHRM3 known ✓ P20309 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
POLB P06746 3/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CDYL2 Q8N8U2 6/20 0.48
CDYL Q9Y232 6/20 0.48
CDY1; CDY1B Q9Y6F8 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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 SCHEMBL3845714 0.84 ALDH1A1 (0.49) NPC1RAB9APOLBMAPTKDM4E
Hydrochloric Acid SCHEMBL3849010 0.78 GSK3B (0.44) SMN1; SMN2NPC1RAB9APOLBMAPT
Bromide SCHEMBL3850368 0.75 CES2 (0.41) NPC1RAB9APOLBMAPTTSHR
Bromide SCHEMBL3853764 0.74 NPC1 (0.47) SMN1; SMN2NPC1RAB9AMAPK1HPGD
SCHEMBL10531109 0.73 MAPT (0.51) SMN1; SMN2NPC1RAB9APOLBMAPT
Bromide SCHEMBL3846592 0.72 CXCR3 (0.44) SMN1; SMN2NPC1RAB9APOLBMAPT
Bromide SCHEMBL3845106 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL11248287 0.72 CES2 (0.69) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL30758862 0.72 CES2 (0.69) SMN1; SMN2NPC1RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL10528594 0.72 MAPT (0.50) SMN1; SMN2NPC1RAB9APOLBMAPT

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-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-20090124673-A1 Method for treating diabetic nephropathy 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
EP-1305024-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON INC (US) 2006-03-22 EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 US disclosed
EP-1305024-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC Alteon, Inc. (US) 2003-05-02 EP 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
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 US disclosed
WO-2002007725-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON, INC. (US) 2002-01-31 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 (8 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 1000/4885CHRM1 1576/4885CHRM3 1444/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 CHRM2 88/4885CHRM1 264/4885CHRM3 31/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 CHRM2 669/4885CHRM1 1237/4885CHRM3 740/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 CHRM2 76/4885CHRM1 66/4885CHRM3 596/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 CHRM2 1287/4885CHRM1 2185/4885CHRM3 1335/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 CHRM2 835/4885CHRM1 1591/4885CHRM3 1311/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX CHRM2 52/4885CHRM1 69/4885CHRM3 307/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 CHRM2 552/4885CHRM1 768/4885CHRM3 366/4885

“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.