Bromide

Bromide

SCHEMBL3854430

Br.CC1=C(C)N(CC(=O)c2ccc3c(c2)Cc2ccccc2-3)CS1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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
ADRA1D known ✓ P25100 1/20 0.43
ADRA1A known ✓ P35348 1/20 0.43
ADRA1B known ✓ P35368 1/20 0.43
ADRA2A known ✓ P08913 1/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SRD5A2 P31213 1/20 0.48
MAPT P10636 7/20 0.45
KMT2A Q03164 5/20 0.45
CYP1A2 P05177 4/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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 SCHEMBL3848609 0.80 PTPN1 (0.49) KDM4EMAPTALDH1A1LMNASMN1; SMN2
Bromide SCHEMBL2954276 0.79 ALDH1A1 (0.48) KDM4EL3MBTL1MAPTKMT2AALDH1A1
SCHEMBL23535452 0.78 PTPN1 (0.50) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1820216 0.77 ALDH1A1 (0.46) KDM4EL3MBTL1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL33828 0.76 RAB9A (0.46) KDM4EL3MBTL1MAPTKMT2AALDH1A1
Bromide SCHEMBL3845053 0.76 ALDH1A1 (0.42) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
Bromide SCHEMBL3845607 0.75 PTPN1 (0.42) KDM4EL3MBTL1MAPTKMT2AALDH1A1
Bromide SCHEMBL5004650 0.75 PTPN1 (0.42) KDM4EL3MBTL1MAPTKMT2AALDH1A1
Bromide SCHEMBL3845635 0.74 CYP26A1 (0.46) KDM4EKMT2ACYP1A2ALDH1A1POLB
SCHEMBL6535050 0.74 ALDH1A1 (0.40) KDM4EMAPTALDH1A1SMN1; SMN2NPC1

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 16 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
EP-1353669-B1 METHOD FOR TREATING GLAUCOMA ALTEON INC (US) 2007-08-15 EP 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
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP 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
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO 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 (6 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 ADRA1D 1509/4885ADRA1A 720/4885ADRA1B 1027/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ADRA1D 480/4885ADRA1A 166/4885ADRA1B 247/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ADRA1D 1669/4885ADRA1A 847/4885ADRA1B 1142/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ADRA1D 1054/4885ADRA1A 474/4885ADRA1B 713/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 ADRA1D 1413/4885ADRA1A 862/4885ADRA1B 1119/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ADRA1D 238/4885ADRA1A 81/4885ADRA1B 150/4885

“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.