Bromide

Bromide

SCHEMBL3843830

Br.CCOC(=O)CCCCCN1C=CN(CC(=O)c2ccc(OC)cc2)C1

nearest known ligand 0.46

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
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC1 Q13547 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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 SCHEMBL3851943 0.90 MEN1 (0.40) ALDH1A1HTTKMT2AL3MBTL1MEN1
Bromide SCHEMBL6843500 0.88 CXCR3 (0.49) ALDH1A1LMNAMAPTHTTKMT2A
Bromide SCHEMBL3848873 0.88 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EMAPTPOLB
SCHEMBL3379507 0.79 HDAC8 (0.62) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL9308927 0.77 PDE4B (0.62) ALDH1A1LMNAMAPTHTTKMT2A
Bromide SCHEMBL3853194 0.76 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL3383976 0.75 HDAC8 (0.58) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL28841407 0.75 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL5269091 0.75 PDE4B (0.67) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL1375197 0.72 MMP1 (0.59) ALDH1A1LMNAMAPTHTTKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198795-A1 Substituted imidazoliums and methods of use therefor SYNVISTA THERAPEUTICS, INC. 2004-10-07 US claimed
EP-1213282-A1 Substituted imidazolium salts and their use for the inhibition of protein ageing. ALTEON Inc. (US) 2002-06-12 EP claimed
EP-0920418-A1 SUBSTITUTED IMIDAZOLIUM SALTS AND THEIR USE FOR THE INHIBITION OF PROTEIN AGEING ALTEON, INC. (US) 1999-06-09 EP claimed
WO-1997042175-A1 SUBSTITUTED IMIDAZOLIUM SALTS AND THEIR USE FOR THE INHIBITION OF PROTEIN AGEING ALTEON INC. (US) 1997-11-13 WO 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
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 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
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
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO 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
EP-0920418-A1 SUBSTITUTED IMIDAZOLIUM SALTS AND THEIR USE FOR THE INHIBITION OF PROTEIN AGEING ALTEON, INC. (US) 1999-06-09 EP disclosed
WO-1997042175-A1 SUBSTITUTED IMIDAZOLIUM SALTS AND THEIR USE FOR THE INHIBITION OF PROTEIN AGEING ALTEON INC. (US) 1997-11-13 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 (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 ALDH1A1 175/4885LMNA 1024/4885KDM4E 3755/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ALDH1A1 366/4885LMNA 2101/4885KDM4E 4361/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ALDH1A1 204/4885LMNA 1032/4885KDM4E 3863/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 ALDH1A1 192/4885LMNA 825/4885KDM4E 3256/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ALDH1A1 402/4885LMNA 1911/4885KDM4E 3627/4885
US-20040198795-A1 Substituted imidazoliums and methods of use therefor AGER, NOTUM, IDE ALDH1A1 1051/4885LMNA 2384/4885KDM4E 1451/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 ALDH1A1 261/4885LMNA 685/4885KDM4E 3355/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX ALDH1A1 431/4885LMNA 473/4885KDM4E 2770/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ALDH1A1 448/4885LMNA 1815/4885KDM4E 4392/4885

“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.