Bromide

Bromide

SCHEMBL3848895

O=C(Cn1cc[n+](-c2ccccc2)c1)c1cccs1.[Br-]

nearest known ligand 0.68

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
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 7/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CASP1 P29466 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
GSK3B P49841 1/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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 SCHEMBL6009708 0.81 MEN1 (0.60) TSHRMEN1KMT2ARECQLALDH1A1
Bromide SCHEMBL6010075 0.81 KMT2A (0.76) TSHRMEN1KMT2ARECQLALDH1A1
Bromide SCHEMBL3847728 0.79 MEN1 (0.51) TSHRMEN1KMT2ARECQLALDH1A1
Bromide SCHEMBL6010078 0.79 MEN1 (0.76) TSHRMEN1KMT2ARECQLALDH1A1
Hydrochloric Acid SCHEMBL3848502 0.77 MEN1 (0.62) MEN1KMT2ARECQLALDH1A1NPC1
Bromide SCHEMBL6075028 0.74 MEN1 (0.49) TSHRMEN1KMT2ARECQLALDH1A1
Hydrochloric Acid SCHEMBL3845644 0.70 MEN1 (0.57) MEN1KMT2ARECQLALDH1A1NPC1
Bromide SCHEMBL3847731 0.69 ALDH1A1 (0.52) TSHRMEN1KMT2ARECQLALDH1A1
Bromide SCHEMBL3844970 0.69 TSHR (0.53) TSHRMEN1KMT2AALDH1A1POLB
Bromide SCHEMBL6010213 0.69 MEN1 (0.48) MEN1KMT2ARECQLALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 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 TSHR 3360/4885MEN1 1999/4885KMT2A 4599/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 TSHR 3214/4885MEN1 1815/4885KMT2A 4535/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 TSHR 3040/4885MEN1 2481/4885KMT2A 4545/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 TSHR 2797/4885MEN1 494/4885KMT2A 4051/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 TSHR 3825/4885MEN1 3331/4885KMT2A 4493/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 TSHR 2851/4885MEN1 2134/4885KMT2A 4326/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX TSHR 1545/4885MEN1 515/4885KMT2A 4075/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 TSHR 3017/4885MEN1 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.