Bromide

Bromide

SCHEMBL1194178

O=C(NCCOC(=O)c1ccccc1)c1ccc[n+](CC(=O)c2ccc(Cl)cc2Cl)c1.[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 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6226750 0.87 HPGD (0.46) BACE1ALDH1A1HPGDKMT2AMEN1
Bromide SCHEMBL1194556 0.83 GLA (0.50) GLAALDH1A1MAPTKMT2AMEN1
Bromide SCHEMBL6909971 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDMAPTKMT2A
Bromide SCHEMBL7049215 0.82 ALDH1A1 (0.50) SMN1; SMN2BACE1ALDH1A1HPGDKMT2A
SCHEMBL6227326 0.82 GLA (0.48) GLAALDH1A1MAPTKMT2AMEN1
SCHEMBL6908873 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDMAPTKMT2A
Bromide SCHEMBL7052707 0.81 GLA (0.52) GLASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7505838 0.79 GLA (0.50) GLASMN1; SMN2ALDH1A1MAPTKMT2A
Bromide SCHEMBL1193914 0.78 ALDH1A1 (0.51) GLASMN1; SMN2ALDH1A1HPGDKMT2A
Bromide SCHEMBL1193730 0.77 GLA (0.58) GLASMN1; SMN2BACE1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2659933-A1 Pharmaceutical combinations comprising specified age breaker and further drugs, i.a. antihypertensive drugs, antidiabetic drugs etc. Torrent Pharmaceuticals Ltd. (IN) 2013-11-06 EP claimed
JP-2011510067-A 2011-03-31 JP claimed
US-20110034378-A1 Pharmaceutical Combinations Comprising Specified Age Breaker and Further Drugs, I.A. Antihypertensive Drugs, Antidiabetic Drugs Etc. TORRENT PHARMACEUTICALS LTD. (IN) 2011-02-10 US claimed
EP-2254563-A2 PHARMACEUTICAL COMBINATIONS COMPRISING SPECIFIED AGE BREAKER AND FURTHER DRUGS, I.A. ANTIHYPERTENSIVE DRUGS, ANTIDIABETIC DRUGS ETC Torrent Pharmaceuticals Ltd. (IN) 2010-12-01 EP claimed
WO-2009093264-A2 PHARMACEUTICAL COMBINATIONS TORRENT PHARMACEUTICALS LTD. (IN) 2009-07-30 WO claimed
EP-1222171-B1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF TORRENT PHARMACEUTICALS LTD (IN) 2004-02-25 EP claimed
US-6624178-B2 Novel compounds of the pyridinium series useful for the management of diabetes and aging-related vascular complications, including kidney disease, nerve damage, atherosclerosis, retinopathy, dermatological disorders and TORRENT PHARMACEUTICALS LTD. (IN) 2003-09-23 US claimed
US-20030092744-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof TORRENT PHARMACEUTICALS LTD. 2003-05-15 US claimed
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications TORRENT PHARMACEUTICALS LTD. 2002-08-01 US claimed
EP-1222171-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Torrent Pharmaceuticals Ltd (IN) 2002-07-17 EP claimed
US-20010018524-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2001-08-30 US claimed
WO-2001025208-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANKARANARAYANAN ALANGUDI (IN) 2001-04-12 WO claimed
EP-2659933-A1 Pharmaceutical combinations comprising specified age breaker and further drugs, i.a. antihypertensive drugs, antidiabetic drugs etc. Torrent Pharmaceuticals Ltd. (IN) 2013-11-06 EP disclosed
US-20110034378-A1 Pharmaceutical Combinations Comprising Specified Age Breaker and Further Drugs, I.A. Antihypertensive Drugs, Antidiabetic Drugs Etc. TORRENT PHARMACEUTICALS LTD. (IN) 2011-02-10 US disclosed
EP-2254563-A2 PHARMACEUTICAL COMBINATIONS COMPRISING SPECIFIED AGE BREAKER AND FURTHER DRUGS, I.A. ANTIHYPERTENSIVE DRUGS, ANTIDIABETIC DRUGS ETC Torrent Pharmaceuticals Ltd. (IN) 2010-12-01 EP disclosed
WO-2009093264-A2 PHARMACEUTICAL COMBINATIONS TORRENT PHARMACEUTICALS LTD. (IN) 2009-07-30 WO disclosed
US-6462057-B1 SUCH AS 1-(2-ETHOXY-2-OXOETHYL)-3-(METHANESULFONYLHYDRAZINO-CARBONYL)PYRIDINIUM BROMIDE; KIDNEY DISEASE, NERVE DAMAGE, ATHEROSCLEROSIS, RETINOPATHY, DERMATOLOGICAL DISORDERS AND DISCOLORATION OF TEETH TORRENT PHARMACEUTICALS, LTD. (IN) 2002-10-08 US disclosed
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications TORRENT PHARMACEUTICALS LTD. 2002-08-01 US disclosed
EP-1222171-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Torrent Pharmaceuticals Ltd (IN) 2002-07-17 EP disclosed
WO-2001025208-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANKARANARAYANAN ALANGUDI (IN) 2001-04-12 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 (4 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-20010018524-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof AGER, GLA, RBP1 GLA 2/4885SMN1; SMN2 1818/4885BACE1 368/4885
US-20030092744-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation and therapeutic uses thereof AGER, REN, RBP4 GLA 5/4885SMN1; SMN2 1648/4885BACE1 134/4885
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP GLA 253/4885SMN1; SMN2 2608/4885BACE1 1232/4885
US-20110034378-A1 Pharmaceutical Combinations Comprising Specified Age Breaker and Further Drugs, I.A. Antihypertensive Drugs, Antidiabetic Drugs Etc. AGER, F12, DPP4 GLA 413/4885SMN1; SMN2 1481/4885BACE1 1039/4885

“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.