Bromide

Bromide

SCHEMBL3847336

Br.O=C(CN1C=CSC1)c1ccc(F)cc1

nearest known ligand 0.42

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
SIGMAR1 known ✓ Q99720 2/20 0.39
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PTPN1 P18031 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
SLC18A3 Q16572 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2B P41595 1/20 0.39
HTR7 P34969 1/20 0.38
PLOD2 O00469 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL7074124 0.98 NPC1 (0.43) NPC1RAB9APTPN1HTTSMN1; SMN2
Bromide SCHEMBL4114709 0.85 RAB9A (0.46) NPC1RAB9AHTTSMN1; SMN2ALDH1A1
Bromide SCHEMBL2947798 0.85 RAB9A (0.46) RAB9AHTTSMN1; SMN2ALDH1A1KMT2A
Bromide SCHEMBL7402289 0.84 ALDH1A1 (0.43) NPC1RAB9APTPN1SMN1; SMN2ALDH1A1
Bromide SCHEMBL122634 0.84 ALDH1A1 (0.43) NPC1RAB9APTPN1SMN1; SMN2ALDH1A1
SCHEMBL6936037 0.83 GSK3B (0.44) NPC1RAB9AHTTSMN1; SMN2ALDH1A1
SCHEMBL6935144 0.83 GSK3B (0.44) RAB9AHTTSMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4019649 0.81 ALDH1A1 (0.43) RAB9APTPN1SMN1; SMN2ALDH1A1KDM4E
Bromide SCHEMBL3853720 0.81 ALDH1A1 (0.55) NPC1RAB9AHTTALDH1A1KDM4E
Bromide SCHEMBL3850585 0.81 CES2 (0.44) RAB9AHTR2AHTR2CKCNH2

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-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-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-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-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-2002056836-A2 METHOD AND COMPOSITION FOR REJUVENATING HAIR, NAILS, TISSUES, CELLS AND ORGANS BY EX-VIVO OR IMMERSIVE TREATMENT FARRINGTON PHARMACEUTICALS, LLC (US) 2002-07-25 WO 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-20030185776-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment COL1A1, KRT18, MMP1 SIGMAR1 4855/4885NPC1 2516/4885RAB9A 1796/4885
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 SIGMAR1 2573/4885NPC1 283/4885RAB9A 2851/4885
US-20020182165-A1 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment COL1A1, KRT18, COL2A1 SIGMAR1 4833/4885NPC1 1920/4885RAB9A 1586/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 SIGMAR1 3850/4885NPC1 116/4885RAB9A 2313/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 SIGMAR1 2463/4885NPC1 205/4885RAB9A 3660/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 SIGMAR1 3752/4885NPC1 530/4885RAB9A 3397/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 SIGMAR1 2677/4885NPC1 347/4885RAB9A 3572/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 SIGMAR1 2483/4885NPC1 515/4885RAB9A 4074/4885

“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.