Bromide

Bromide

SCHEMBL3846936

Cc1n(CC(=O)c2ccc(C(F)(F)F)cc2)cc[n+]1C.[Br-]

nearest known ligand 0.44

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 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.38
HSD11B1 P28845 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HTR2A P28223 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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 SCHEMBL3849745 0.85 ATM (0.52) PTPN1LMNASMN1; SMN2MAPTALDH1A1
Bromide SCHEMBL3845104 0.82 SMN1; SMN2 (0.60) GSK3BLMNASMN1; SMN2MAPTALDH1A1
Bromide SCHEMBL3846585 0.82 KMT2A (0.45) GSK3BLMNASMN1; SMN2MAPTALDH1A1
Bromide SCHEMBL3850362 0.79 POLB (0.42) LMNASMN1; SMN2CES2CES1MAPT
Bromide SCHEMBL3850962 0.78 LMNA (0.40) LMNASMN1; SMN2MAPTALDH1A1ATM
Bromide SCHEMBL3845433 0.77 CTNNB1 (0.41) LMNASMN1; SMN2MAPTALDH1A1ATM
Bromide SCHEMBL3847714 0.76 GSK3B (0.52) GSK3BLMNASMN1; SMN2MAPTALDH1A1
Bromide SCHEMBL3846665 0.75 SMN1; SMN2 (0.46) PTPN1LMNASMN1; SMN2CES2CES1
Bromide SCHEMBL3845562 0.73 CES2 (0.36) LMNASMN1; SMN2CES2CES1MAPT
Bromide SCHEMBL3854846 0.73 KMT2A (0.47) LMNASMN1; SMN2ALDH1A1

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-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
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 PTPN1 3978/4885GSK3B 3215/4885LMNA 1024/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 PTPN1 4787/4885GSK3B 3887/4885LMNA 2101/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 PTPN1 3830/4885GSK3B 3019/4885LMNA 1032/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 PTPN1 3341/4885GSK3B 3390/4885LMNA 825/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 PTPN1 4026/4885GSK3B 2713/4885LMNA 1911/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 PTPN1 3887/4885GSK3B 2905/4885LMNA 685/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX PTPN1 3784/4885GSK3B 3483/4885LMNA 473/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 PTPN1 4599/4885GSK3B 3150/4885LMNA 1815/4885

“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.