Bromide

Bromide

SCHEMBL7051663

CC(=O)OCCOC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1.[Br-]

nearest known ligand 0.74

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
GLA P06280 1/20 0.74
HTT P42858 1/20 0.60
KMT2A Q03164 5/20 0.59
PABPC1 P11940 1/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 5/20 0.54
RECQL P46063 1/20 0.54
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.48
ADRB2 P07550 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43

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 SCHEMBL1193579 0.92 GLA (0.78) GLAHTTKMT2APABPC1ATM
SCHEMBL6226013 0.91 GLA (0.75) GLAHTTKMT2APABPC1ATM
Bromide SCHEMBL1193716 0.84 GLA (0.70) GLAHTTKMT2APABPC1ATM
Bromide SCHEMBL7061122 0.83 GLA (0.65) GLAHTTKMT2APABPC1ATM
Bromide SCHEMBL1193999 0.83 GLA (0.58) GLAHTTKMT2APABPC1ATM
Bromide SCHEMBL7514295 0.82 ALDH1A1 (0.76) GLAHTTKMT2APABPC1ATM
SCHEMBL6225837 0.81 GLA (0.56) GLAHTTKMT2APABPC1ATM
Bromide SCHEMBL1193574 0.80 GLA (0.70) GLAHTTKMT2APABPC1ATM
Bromide SCHEMBL7053244 0.79 GLA (0.70) GLAHTTKMT2APABPC1ATM
SCHEMBL6904837 0.78 GLA (0.68) GLAHTTKMT2APABPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 disclosed
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 disclosed
EP-1304101-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications Torrent Pharmaceuticals Ltd (IN) 2003-04-23 EP disclosed
US-20030032660-A1 Breaking preformed AGE TORRENT PHARMACEUTICALS LTD. 2003-02-13 US 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
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 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 2/4885HTT 4615/4885KMT2A 4629/4885
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 5/4885HTT 4568/4885KMT2A 4408/4885
US-20030032660-A1 Breaking preformed AGE AGER, GPX1, RBP1 GLA 22/4885HTT 4717/4885KMT2A 4457/4885
US-20020103228-A1 Composition and method for use of pyridinium derivatives in cosmetic and therapeutic applications PNPO, PRDX5, PLPBP GLA 253/4885HTT 3647/4885KMT2A 3459/4885

“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.