Bromide

Bromide

SCHEMBL3854344

Br.O=C(CN1CSc2ccccc21)c1ccc(Br)cc1

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
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 1/20 0.47
GSK3B P49841 2/20 0.46
BCHE P06276 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.44
ATM Q13315 1/20 0.44
USP2 O75604 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL6939314 0.99 GSK3B (0.47) MAPTRAB9AHTTSMN1; SMN2RECQL
Bromide SCHEMBL2954116 0.89 ALDH1A1 (0.48) MAPTRAB9ASMN1; SMN2GSK3BBCHE
Bromide SCHEMBL27893556 0.89 ALDH1A1 (0.48) MAPTRAB9ASMN1; SMN2GSK3BBCHE
SCHEMBL6939772 0.87 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2GSK3BBCHE
Bromide SCHEMBL2951034 0.78 MAPT (0.46) MAPTALDH1A1CYP2D6MAPK1CYP2C19
Bromide SCHEMBL27458290 0.78 MAPT (0.46) MAPTALDH1A1CYP2D6MAPK1CYP2C19
Bromide SCHEMBL2954210 0.77 MAPT (0.42) MAPTBCHEALDH1A1MAPK1GFER
Bromide SCHEMBL27876873 0.77 MAPT (0.42) MAPTBCHEALDH1A1MAPK1GFER
SCHEMBL9841898 0.76 MAPT (0.44) MAPTBCHEALDH1A1MAPK1GFER
SCHEMBL5940974 0.76 MAPT (0.47) MAPTALDH1A1CYP2D6MAPK1CYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
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-7384625-B2 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment FARINGTON PHARMACEUTICALS, LLC (US) 2008-06-10 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-6713050-B2 A THIAZOLIUM COMPOUND FOR TREATMENT OF HAIR, NAIL, EX-VIVO ORGAN, TISSUE OR CELLS BY IMPROVING THE DEFORMABILITY AND DIFFUSION COEFFICIENT OF HAIR, NAILS, TISSUES, CELLS, AND ORGANS IN HUMAN AND ANIMALS FARRINGTON PHARMACEUTICALS, INC. 2004-03-30 US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP disclosed
US-20030185776-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment FARRINGTON PHARMACEUTICALS, LLC 2003-10-02 US disclosed
EP-1305024-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC Alteon, Inc. (US) 2003-05-02 EP disclosed
US-20020182165-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment FARRINGTON PHARMACEUTICALS, LLC 2002-12-05 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
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 (7 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-20030185776-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment COL1A1, KRT18, MMP1 MAPT 564/4885RAB9A 1796/4885HTT 20/4885
US-20020182165-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment COL1A1, KRT18, COL2A1 MAPT 754/4885RAB9A 1586/4885HTT 51/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 MAPT 2131/4885RAB9A 2313/4885HTT 2112/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 MAPT 3408/4885RAB9A 3660/4885HTT 1948/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 MAPT 2569/4885RAB9A 3397/4885HTT 2002/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 MAPT 2807/4885RAB9A 3572/4885HTT 1312/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 MAPT 4108/4885RAB9A 4074/4885HTT 1758/4885

“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.