Bromide

Bromide

SCHEMBL3848972

CCOC(=O)c1ccc(NC(=O)C[n+]2c(C)sc(C)c2C)cc1.[Br-]

nearest known ligand 0.55

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 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RAB9A P51151 5/20 0.54
GAA P10253 2/20 0.52
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL9671985 0.74 TSHR (0.77) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL2840870 0.73 TSHR (0.74) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL2840873 0.73 TSHR (0.74) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL6691604 0.72 TSHR (0.72) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL6690396 0.72 TSHR (0.72) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL9843022 0.72 GAA (0.76) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL491660 0.72 TSHR (0.72) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL7141724 0.72 TSHR (0.72) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL21639596 0.72 TSHR (0.77) TSHRRAB9AGAAALDH1A1NPC1
SCHEMBL5947516 0.72 TSHR (0.77) TSHRRAB9AGAAALDH1A1NPC1

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
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-1353669-B1 METHOD FOR TREATING GLAUCOMA ALTEON INC (US) 2007-08-15 EP disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 US disclosed
EP-1305024-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON INC (US) 2006-03-22 EP disclosed
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP disclosed
EP-1305024-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC Alteon, Inc. (US) 2003-05-02 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 3360/4885RAB9A 2851/4885GAA 293/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 TSHR 3214/4885RAB9A 2313/4885GAA 1014/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 TSHR 3040/4885RAB9A 3660/4885GAA 553/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 TSHR 3825/4885RAB9A 3397/4885GAA 181/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 TSHR 2851/4885RAB9A 3572/4885GAA 233/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 TSHR 3017/4885RAB9A 4074/4885GAA 495/4885

“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.