Bromide

Bromide

SCHEMBL3854850

Cc1n(C)cc[n+]1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Br-]

nearest known ligand 0.53

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
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.43
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
F2R P25116 9/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 2/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAOB P27338 1/20 0.34
CYP3A4 P08684 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 SCHEMBL3964787 0.75 KMT2A (0.48) KMT2AMEN1ALOX5PTGS1PTGS2
Bromide SCHEMBL3892809 0.75 KMT2A (0.70) KMT2AMEN1ALOX5PTGS1PTGS2
Bromide SCHEMBL3849748 0.74 KMT2A (0.49) KMT2AMEN1RECQLALDH1A1POLB
Bromide SCHEMBL3845105 0.74 AHR (0.58) KMT2AMEN1LMNARECQLALDH1A1
SCHEMBL7404945 0.74 KMT2A (0.46) KMT2AMEN1ALOX5PTGS1PTGS2
Bromide SCHEMBL3846589 0.73 KMT2A (0.50) KMT2AMEN1LMNAALDH1A1POLB
Bromide SCHEMBL3853727 0.73 KMT2A (0.46) KMT2AMEN1ALOX5PTGS1PTGS2
Bromide SCHEMBL3853600 0.73 KMT2A (0.56) KMT2AMEN1ALOX5PTGS1PTGS2
Bromide SCHEMBL3850367 0.73 CES2 (0.39) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
Bromide SCHEMBL3854846 0.72 KMT2A (0.47) KMT2AMEN1ALOX5PTGS1PTGS2

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 KMT2A 4599/4885MEN1 1999/4885ALOX5 294/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 KMT2A 4535/4885MEN1 1815/4885ALOX5 1110/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 KMT2A 4545/4885MEN1 2481/4885ALOX5 259/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 KMT2A 4051/4885MEN1 494/4885ALOX5 2213/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 KMT2A 4493/4885MEN1 3331/4885ALOX5 60/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 KMT2A 4326/4885MEN1 2134/4885ALOX5 470/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX KMT2A 4075/4885MEN1 515/4885ALOX5 1659/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 KMT2A 4520/4885MEN1 3327/4885ALOX5 521/4885

“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.