Bromide

Bromide

SCHEMBL3853756

COc1ccccc1C(=O)Cn1cc[n+](C)c1C.[Br-]

nearest known ligand 0.45

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 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CTNNB1 P35222 4/20 0.41
▸ WNT3A P56704 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ CTSD P07339 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ MAPK1 P28482 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
Bromide SCHEMBL3844954 0.84 RAB9A (0.51) NPC1ALDH1A1KMT2ARAB9AHTT
Bromide SCHEMBL3843753 0.84 KMT2A (0.49) ALDH1A1KMT2ARAB9ACTSDHTT
Bromide SCHEMBL3846654 0.80 ALDH1A1 (0.46) NPC1ALDH1A1KMT2ARAB9AHTT
Bromide SCHEMBL3845433 0.79 CTNNB1 (0.41) ALDH1A1CTNNB1WNT3AHTTLMNA
SCHEMBL20527503 0.76 LMNA (0.51) NPC1IDO1TDO2ALDH1A1KMT2A
Bromide SCHEMBL3844623 0.76 KMT2A (0.47) NPC1ALDH1A1KMT2ARAB9AHDAC8
Bromide SCHEMBL3851136 0.75 SMN1; SMN2 (0.46) NPC1ALDH1A1KMT2ARAB9ALMNA
Bromide SCHEMBL3845737 0.75 CDYL2 (0.52) NPC1ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL10872757 0.74 L3MBTL1 (0.50) NPC1IDO1TDO2ALDH1A1KMT2A
Bromide SCHEMBL3853760 0.73 KMT2A (0.46) NPC1IDO1TDO2ALDH1A1KMT2A

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 14 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
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
EP-1305024-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON INC (US) 2006-03-22 — — EP 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
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
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 (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 NPC1 283/4885IDO1 663/4885TDO2 3791/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 NPC1 116/4885IDO1 442/4885TDO2 3784/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 NPC1 205/4885IDO1 354/4885TDO2 4043/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 NPC1 408/4885IDO1 87/4885TDO2 3425/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 NPC1 530/4885IDO1 1955/4885TDO2 3157/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 NPC1 347/4885IDO1 306/4885TDO2 3320/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX NPC1 598/4885IDO1 259/4885TDO2 3498/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 NPC1 515/4885IDO1 2380/4885TDO2 2607/4885

“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.

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