Bromide

Bromide

SCHEMBL3846943

C[c+]1n(C)ccn1CC(=O)c1ccc(C(F)(F)F)cc1.[Br-]

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MMP1 P03956 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
HTR2A P28223 1/20 0.40
HSD11B1 P28845 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPA1 O75762 1/20 0.37
PDPK1 O15530 1/20 0.37
SRD5A2 P31213 1/20 0.37

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 SCHEMBL3849750 0.84 GAA (0.43) PTPN1ALDH1A1HTR2AHRH3
Bromide SCHEMBL3851142 0.82 KMT2A (0.45) GSK3BALDH1A1MAPT
Bromide SCHEMBL3845106 0.81 SMN1; SMN2 (0.49) GSK3BALDH1A1MAPTHDAC1HDAC8
Bromide SCHEMBL3846592 0.81 CXCR3 (0.44) GSK3BALDH1A1MAPT
Hydrochloric Acid SCHEMBL3849010 0.78 GSK3B (0.44) PTPN1GSK3BALDH1A1MAPTCES1
Bromide SCHEMBL3850368 0.78 CES2 (0.41) ALDH1A1MAPTCES2CES1MAOB
Bromide SCHEMBL3845437 0.76 CTNNB1 (0.43)
SCHEMBL28840519 0.71 PTPN1 (0.56) PTPN1GSK3BALDH1A1MAPTMMP1
Bromide SCHEMBL3849417 0.69 PTPN1 (0.43) PTPN1GSK3BALDH1A1MAPTMMP1
Bromide SCHEMBL3849528 0.69 FEN1 (0.41) ALDH1A1

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 PTPN1 3978/4885GSK3B 3215/4885ALDH1A1 175/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 PTPN1 4787/4885GSK3B 3887/4885ALDH1A1 366/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 PTPN1 3830/4885GSK3B 3019/4885ALDH1A1 204/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 PTPN1 3341/4885GSK3B 3390/4885ALDH1A1 192/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 PTPN1 4026/4885GSK3B 2713/4885ALDH1A1 402/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 PTPN1 3887/4885GSK3B 2905/4885ALDH1A1 261/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX PTPN1 3784/4885GSK3B 3483/4885ALDH1A1 431/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 PTPN1 4599/4885GSK3B 3150/4885ALDH1A1 448/4885

“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.