Bromide

Bromide

SCHEMBL3850964

CCN(CC)c1ccc(C(=O)Cn2ccn(C)[c+]2C)cc1.[Br-]

nearest known ligand 0.42

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
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HSD11B1 P28845 1/20 0.42
MAPT P10636 9/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
GAA P10253 3/20 0.40

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 SCHEMBL6838876 0.84 HSD11B1 (0.43) NPC1RAB9AL3MBTL1HDAC3HDAC4
Bromide SCHEMBL3851142 0.81 KMT2A (0.45) NPC1RAB9AL3MBTL1MAPTMEN1
Bromide SCHEMBL3845106 0.80 SMN1; SMN2 (0.49) NPC1RAB9AHDAC3HDAC4HDAC1
Bromide SCHEMBL3846592 0.80 CXCR3 (0.44) NPC1RAB9AMAPTMEN1KMT2A
Bromide SCHEMBL3849750 0.80 GAA (0.43) NPC1RAB9AMEN1KMT2APOLB
Bromide SCHEMBL3845714 0.78 ALDH1A1 (0.49) NPC1RAB9AL3MBTL1HDAC3HDAC4
Hydrochloric Acid SCHEMBL3849010 0.77 GSK3B (0.44) NPC1RAB9AMAPTMEN1KMT2A
Bromide SCHEMBL3846943 0.77 PTPN1 (0.46) HDAC1HDAC8HSD11B1MAPTALDH1A1
Bromide SCHEMBL3850368 0.74 CES2 (0.41) NPC1RAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9663149 0.71 HPGD (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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 NPC1 283/4885RAB9A 2851/4885L3MBTL1 3390/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 NPC1 116/4885RAB9A 2313/4885L3MBTL1 4609/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 NPC1 205/4885RAB9A 3660/4885L3MBTL1 3653/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 NPC1 408/4885RAB9A 2963/4885L3MBTL1 728/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 NPC1 530/4885RAB9A 3397/4885L3MBTL1 4461/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 NPC1 347/4885RAB9A 3572/4885L3MBTL1 3021/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX NPC1 598/4885RAB9A 3066/4885L3MBTL1 1060/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 NPC1 515/4885RAB9A 4074/4885L3MBTL1 1983/4885

“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.