Bromide

Bromide

SCHEMBL3846653

Cc1c(C(C)O)sc[n+]1CC(=O)c1cccs1.[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
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GSK3B P49841 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5070439 0.99 ALDH1A1 (0.50) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Bromide SCHEMBL8078699 0.83 KMT2A (0.58) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Bromide SCHEMBL3846481 0.83 KMT2A (0.58) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Bromide SCHEMBL8078695 0.82 KMT2A (0.57) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL5015364 0.82 KMT2A (0.56) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Bromide SCHEMBL6230023 0.81 KMT2A (0.52) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
Bromide SCHEMBL3846652 0.78 OPRM1 (0.45) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL5070440 0.76 TKT (0.44) RAB9AALDH1A1HPGDNPC1SMN1; SMN2
Bromide SCHEMBL6226270 0.76 KMT2A (0.38) ALDH1A1HPGDKMT2AMEN1
Bromide SCHEMBL3852034 0.74 OPRM1 (0.42) RAB9AALDH1A1HPGDNPC1SMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020160992-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium salts WAGLE DILIP R (US) 2002-10-31 US claimed
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
EP-1128830-B1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS SYNVISTA THERAPEUTICS INC (US) 2008-03-12 EP disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 US disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
US-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US disclosed
US-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds SYNVISTA THERAPEUTICS, 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
US-20020160992-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium salts WAGLE DILIP R (US) 2002-10-31 US disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 US disclosed
US-6319934-B1 TREATING STIFFENING OF BLOOD VASCULATURE, ATHEROSCLEROSIS, RETINOPATHY, CATARACTS, PERIPHERAL NEUROPATHY OR OSTEOARTHRITIS IN AN ANIMAL ALTEON, INC. 2001-11-20 US disclosed
US-6121300-A IN A TOPICAL COSMETIC AS SKIN ELASTICITY IMPROVER OR WRINKLE REDUCER; COMPOUNDS SUCH AS 3-(2-(3-PHENYL-5-ISOXAZOLYL)-2-OXOETHYL)-THIAZOLIUM; ADMINSISTERING TO TREAT CATARACTS, PROTEIN AGING AND DIABETES SYNVISTA THERAPEUTICS, INC. 2000-09-19 US 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 RAB9A 2851/4885ALDH1A1 175/4885HPGD 249/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 RAB9A 2313/4885ALDH1A1 366/4885HPGD 667/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 RAB9A 3660/4885ALDH1A1 204/4885HPGD 464/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 RAB9A 3397/4885ALDH1A1 402/4885HPGD 462/4885
US-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds AGER, OGA, PTMS RAB9A 3407/4885ALDH1A1 1814/4885HPGD 459/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 RAB9A 3572/4885ALDH1A1 261/4885HPGD 287/4885
US-20020160992-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium salts AGER, OGA, PTMS RAB9A 3046/4885ALDH1A1 1868/4885HPGD 540/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 RAB9A 4074/4885ALDH1A1 448/4885HPGD 118/4885

“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.