Bromide

Bromide

SCHEMBL3845737

COc1cccc(C(=O)Cn2cc[n+](C)c2C)c1.[Br-]

nearest known ligand 0.52

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 0.46
CHRM1 known ✓ P11229 1/20 0.46
CHRM3 known ✓ P20309 1/20 0.46
CDYL2 Q8N8U2 6/20 0.52
CDYL Q9Y232 6/20 0.52
CDY1; CDY1B Q9Y6F8 5/20 0.52
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
CBX7 O95931 4/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA1 P00915 1/20 0.45

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 SCHEMBL3844623 0.85 KMT2A (0.47) MAPTNPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL3846665 0.80 SMN1; SMN2 (0.46) CDYL2CDYLCDY1; CDY1BCA12CA9
Bromide SCHEMBL3843753 0.80 KMT2A (0.49) MAPTRAB9ASMN1; SMN2KDM4EHPGD
Bromide SCHEMBL3844954 0.80 RAB9A (0.51) MAPTNPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL3853584 0.79 SMN1; SMN2 (0.57) CDYL2CDYLCDY1; CDY1BCA12CA9
Hydrochloric Acid SCHEMBL3849007 0.79 KMT2A (0.48) MAPTNPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL3851136 0.76 SMN1; SMN2 (0.46) MAPTNPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL3850362 0.76 POLB (0.42) MAPTNPC1RAB9ASMN1; SMN2POLB
Bromide SCHEMBL3853756 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15030495 0.75 CDYL2 (0.54) CDYL2CDYLCDY1; CDY1BCA12CA9

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.