Bromide

Bromide

SCHEMBL3850367

Cc1n(C)cc[n+]1CC(=O)c1ccc(F)c(F)c1.[Br-]

nearest known ligand 0.40

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 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 3/20 0.39
AHR P35869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34

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 SCHEMBL3849748 0.86 KMT2A (0.49) KMT2AMEN1AHRL3MBTL1KDM4E
Bromide SCHEMBL3846589 0.82 KMT2A (0.50) KMT2AMEN1AHRL3MBTL1KDM4E
Bromide SCHEMBL3851139 0.82 KMT2A (0.52) KMT2AMEN1AHRL3MBTL1KDM4E
Bromide SCHEMBL3845105 0.81 AHR (0.58) KMT2AMEN1AHRL3MBTL1KDM4E
Bromide SCHEMBL3846939 0.79 PTPN1 (0.44) CES2CES1KMT2AMEN1AHR
Bromide SCHEMBL4114910 0.78 THRB (0.64) L3MBTL1KDM4EALDH1A1SMN1; SMN2THRB
Bromide SCHEMBL3844626 0.77 KMT2A (0.60) KMT2AMEN1KDM4EALDH1A1RAB9A
Bromide SCHEMBL3847297 0.77 KDM4E (0.55) KMT2AMEN1AHRL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL3851951 0.76 CES2 (0.41) CES2CES1ALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL3849009 0.76 POLB (0.50) KMT2AMEN1AHRL3MBTL1KDM4E

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 CES2 854/4885CES1 193/4885KMT2A 4599/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 CES2 3399/4885CES1 2585/4885KMT2A 4535/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 CES2 781/4885CES1 261/4885KMT2A 4545/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 CES2 776/4885CES1 63/4885KMT2A 4051/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 CES2 1305/4885CES1 1376/4885KMT2A 4493/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 CES2 1244/4885CES1 316/4885KMT2A 4326/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX CES2 1014/4885CES1 226/4885KMT2A 4075/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 CES2 714/4885CES1 660/4885KMT2A 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.