Bromide

Bromide

SCHEMBL3844732

Br.CC1=C(C)N(CC(=O)c2ccco2)CS1

nearest known ligand 0.44

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 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
CYP2C19 P33261 2/20 0.41
TRPV6 Q9H1D0 1/20 0.40
POLB P06746 4/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6776693 0.99 TRPV6 (0.41) ALDH1A1MEN1KMT2AMAPTCYP2D6
SCHEMBL1820216 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL6535503 0.73 CA12 (0.39) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6535178 0.72 MGAM (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9852558 0.72 TRPV6 (0.55) ALDH1A1MAPTHTTTRPV6POLB
Bromide SCHEMBL3845053 0.72 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EGAA
Bromide SCHEMBL3843813 0.72 CTNNB1 (0.44) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL5071293 0.72 RAB9A (0.47) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL6535470 0.71 PTPN1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL3845112 0.71 FEN1 (0.39) ALDH1A1MEN1KMT2AMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1128830-A4 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON INC (US) 2004-03-31 EP claimed
US-20020160992-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium salts WAGLE DILIP R (US) 2002-10-31 US claimed
JP-2002529414-A 2002-09-10 JP claimed
EP-1128830-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS Alteon, Inc. (US) 2001-09-05 EP claimed
WO-2000027395-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON, INC. (US) 2000-05-18 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-7384625-B2 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment FARINGTON PHARMACEUTICALS, LLC (US) 2008-06-10 US disclosed
EP-1128830-B1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS SYNVISTA THERAPEUTICS INC (US) 2008-03-12 EP disclosed
EP-1353669-B1 METHOD FOR TREATING GLAUCOMA ALTEON INC (US) 2007-08-15 EP 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
WO-2002056836-A2 METHOD AND COMPOSITION FOR REJUVENATING HAIR, NAILS, TISSUES, CELLS AND ORGANS BY EX-VIVO OR IMMERSIVE TREATMENT FARRINGTON PHARMACEUTICALS, LLC (US) 2002-07-25 WO disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO 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
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 (5 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-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ALDH1A1 366/4885MEN1 1815/4885KMT2A 4535/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ALDH1A1 204/4885MEN1 2481/4885KMT2A 4545/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ALDH1A1 402/4885MEN1 3331/4885KMT2A 4493/4885
US-20020160992-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium salts AGER, OGA, PTMS ALDH1A1 1868/4885MEN1 4175/4885KMT2A 2486/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ALDH1A1 448/4885MEN1 3327/4885KMT2A 4520/4885

“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.