Bromide

Bromide

SCHEMBL3851561

Br.CC1=C(C)N(CC(=O)c2ccc(Br)cc2)CS1

nearest known ligand 0.50

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 5/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.48
GSK3B P49841 3/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 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
SCHEMBL6938200 0.99 ALDH1A1 (0.49) MAPTRAB9ASMN1; SMN2HTTALDH1A1
Bromide SCHEMBL5004650 0.87 PTPN1 (0.42) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
Bromide SCHEMBL3845607 0.87 PTPN1 (0.42) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
Bromide SCHEMBL3849504 0.86 PTPN1 (0.44) MAPTRAB9ASMN1; SMN2HTTALDH1A1
Bromide SCHEMBL2954276 0.85 ALDH1A1 (0.48) MAPTRAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL6535470 0.85 PTPN1 (0.43) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1820216 0.84 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2HTTALDH1A1
Bromide SCHEMBL3845606 0.83 ALDH1A1 (0.60) MAPTRAB9AHTTALDH1A1GSK3B
Bromide SCHEMBL2946957 0.83 MAPT (0.45) MAPTRAB9ASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL33828 0.82 RAB9A (0.46) MAPTRAB9ASMN1; SMN2HTTALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
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
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US 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
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
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 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 (9 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 1796/4885SMN1; SMN2 3293/4885
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 MAPT 3022/4885RAB9A 2851/4885SMN1; SMN2 605/4885
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 1586/4885SMN1; SMN2 3177/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 MAPT 2131/4885RAB9A 2313/4885SMN1; SMN2 3940/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 MAPT 3408/4885RAB9A 3660/4885SMN1; SMN2 549/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 MAPT 2569/4885RAB9A 3397/4885SMN1; SMN2 1693/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 MAPT 2807/4885RAB9A 3572/4885SMN1; SMN2 295/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 MAPT 3453/4885RAB9A 3894/4885SMN1; SMN2 3746/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 MAPT 4108/4885RAB9A 4074/4885SMN1; 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.