Bromide

Bromide

SCHEMBL3848609

Br.CC1=C(C)N(CC(=O)c2ccc3ccccc3c2)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
ACHE known ✓ P22303 1/20 0.46
SLC6A2 known ✓ P23975 1/20 0.40
SLC6A4 known ✓ P31645 1/20 0.40
SLC6A3 known ✓ Q01959 1/20 0.40
PTPN1 P18031 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDYL2 Q8N8U2 4/20 0.43
CDYL Q9Y232 4/20 0.43
CBX7 O95931 3/20 0.43
CDY1; CDY1B Q9Y6F8 3/20 0.43

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
SCHEMBL23535452 0.99 PTPN1 (0.50) PTPN1ACHESMN1; SMN2KDM4EHPGD
Bromide SCHEMBL3848888 0.84 PTPN1 (0.44) PTPN1ACHESMN1; SMN2KDM4EHPGD
Bromide SCHEMBL2954276 0.84 ALDH1A1 (0.48) PTPN1SMN1; SMN2KDM4EALDH1A1NPC1
Bromide SCHEMBL3845053 0.83 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL1820216 0.82 ALDH1A1 (0.46) PTPN1SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL6535050 0.82 ALDH1A1 (0.40) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL33828 0.81 RAB9A (0.46) PTPN1SMN1; SMN2KDM4EALDH1A1NPC1
Bromide SCHEMBL3854430 0.80 KDM4E (0.49) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
Bromide SCHEMBL5004650 0.80 PTPN1 (0.42) PTPN1SMN1; SMN2KDM4EALDH1A1NPC1
Bromide SCHEMBL3845607 0.80 PTPN1 (0.42) PTPN1SMN1; SMN2KDM4EALDH1A1NPC1

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 13 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
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US 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
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 ACHE 1566/4885SLC6A2 2647/4885SLC6A4 3935/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ACHE 32/4885SLC6A2 835/4885SLC6A4 1742/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ACHE 1413/4885SLC6A2 3288/4885SLC6A4 4390/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ACHE 1116/4885SLC6A2 656/4885SLC6A4 1042/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 ACHE 1945/4885SLC6A2 2709/4885SLC6A4 3822/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ACHE 657/4885SLC6A2 436/4885SLC6A4 1523/4885

“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.