Bromide

Bromide

SCHEMBL3846592

C[c+]1n(C)ccn1CC(=O)c1ccc(Cl)cc1.[Br-]

nearest known ligand 0.49

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
CXCR3 P49682 8/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.43
GSK3B P49841 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MITF O75030 1/20 0.40
S1PR4 O95977 1/20 0.40
TP53 P04637 1/20 0.40
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 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 SCHEMBL3851142 0.86 KMT2A (0.45) RAB9AMAPTGSK3BALDH1A1MEN1
Bromide SCHEMBL3845106 0.85 SMN1; SMN2 (0.49) CXCR3RAB9AMAPTGSK3BALDH1A1
Bromide SCHEMBL3849750 0.85 GAA (0.43) RAB9AALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3849010 0.81 GSK3B (0.44) RAB9AMAPTGSK3BALDH1A1MEN1
Bromide SCHEMBL3850964 0.80 NPC1 (0.42) RAB9AMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3848631 0.78 ALDH1A1 (0.50) RAB9AMAPTALDH1A1MEN1KMT2A
Bromide SCHEMBL3849528 0.78 FEN1 (0.41) CXCR3ALDH1A1MEN1KMT2ALMNA
Bromide SCHEMBL10550698 0.74 CXCR3 (0.40) CXCR3RAB9AMAPTGSK3BALDH1A1
Hydrochloric Acid SCHEMBL4109951 0.69 KDM4E (0.53) MAPTGSK3BALDH1A1KDM4ELMNA
Bromide SCHEMBL3845437 0.68 CTNNB1 (0.43) LMNA

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-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
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 CXCR3 714/4885RAB9A 2851/4885MAPT 3022/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 CXCR3 3558/4885RAB9A 2313/4885MAPT 2131/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 CXCR3 291/4885RAB9A 3660/4885MAPT 3408/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 CXCR3 100/4885RAB9A 2963/4885MAPT 4025/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 CXCR3 2387/4885RAB9A 3397/4885MAPT 2569/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 CXCR3 984/4885RAB9A 3572/4885MAPT 2807/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX CXCR3 73/4885RAB9A 3066/4885MAPT 3982/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 CXCR3 1646/4885RAB9A 4074/4885MAPT 4108/4885

“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.