Bromide

Bromide

SCHEMBL3849697

Br.CN1C=CN(CC(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.48

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 0.45
HTR1A known ✓ P08908 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.45
CBX7 O95931 3/20 0.44
CDYL2 Q8N8U2 3/20 0.44
CDYL Q9Y232 3/20 0.44
CDY1; CDY1B Q9Y6F8 3/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42

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 SCHEMBL3845509 0.83 NPC1 (0.46) SMN1; SMN2HPGDKDM4EPTPN1ALDH1A1
SCHEMBL28841390 0.81 ALDH1A1 (0.44) SMN1; SMN2HPGDKDM4EPTPN1ALDH1A1
Bromide SCHEMBL10528511 0.81 ALPG (0.50)
Bromide SCHEMBL3849449 0.81 KMT2A (0.44) HPGDALDH1A1NPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL10526726 0.80 KMT2A (0.43) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
Bromide SCHEMBL10528581 0.80 CTNNB1 (0.42) SMN1; SMN2HPGDKDM4EALDH1A1LMNA
Bromide SCHEMBL10526720 0.79 NPC1 (0.53) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
Bromide SCHEMBL3853590 0.79 NPC1 (0.53) SMN1; SMN2HPGDKDM4EALDH1A1NPC1
Bromide SCHEMBL10529429 0.79 HSD17B3 (0.42) KDM4EPTPN1ALDH1A1NPC1RAB9A
Bromide SCHEMBL10528564 0.79 KMT2A (0.49) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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 17 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
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
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 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
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 (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 ACHE 1566/4885HTR1A 3411/4885SMN1; SMN2 605/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ACHE 32/4885HTR1A 1524/4885SMN1; SMN2 3940/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ACHE 1413/4885HTR1A 3363/4885SMN1; SMN2 549/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 ACHE 2654/4885HTR1A 4016/4885SMN1; SMN2 204/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ACHE 1116/4885HTR1A 3245/4885SMN1; SMN2 1693/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 ACHE 1945/4885HTR1A 3177/4885SMN1; SMN2 295/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX ACHE 2361/4885HTR1A 4365/4885SMN1; SMN2 306/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ACHE 657/4885HTR1A 2427/4885SMN1; SMN2 2173/4885

“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.