Bromide

Bromide

SCHEMBL3850917

Br.CN1C=CN(CC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.46

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
▸ CHRM2 known ✓ P08172 1/20 0.41
▸ HTR1A known ✓ P08908 1/20 0.41
▸ ADRA2A known ✓ P08913 1/20 0.41
▸ ADRA1A known ✓ P35348 1/20 0.41
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ HTR2A P28223 5/20 0.42
▸ HTR2C P28335 4/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ OPRM1 P35372 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
Bromide SCHEMBL10529429 0.86 HSD17B3 (0.42) NPC1RAB9APTPN1KDM4EALDH1A1
Bromide SCHEMBL10528564 0.86 KMT2A (0.49) NPC1RAB9AKMT2ASMN1; SMN2TSHR
Bromide SCHEMBL3849449 0.85 KMT2A (0.44) NPC1RAB9AKMT2AHTTTSHR
Bromide SCHEMBL3845993 0.85 ALDH1A1 (0.47) RAB9AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL10531146 0.84 KMT2A (0.50) NPC1RAB9AKMT2ASMN1; SMN2TSHR
Bromide SCHEMBL3845509 0.84 NPC1 (0.46) NPC1RAB9AKMT2ASMN1; SMN2PTPN1
Bromide SCHEMBL10529207 0.84 RAB9A (0.49) NPC1RAB9AKMT2AHTTSMN1; SMN2
SCHEMBL11244190 0.83 CXCR3 (0.45) NPC1RAB9AKMT2AHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL10531143 0.83 KMT2A (0.49) NPC1RAB9AKMT2ASMN1; SMN2TSHR
SCHEMBL28841430 0.83 ALDH1A1 (0.48) NPC1RAB9AKMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213282-A1 Substituted imidazolium salts and their use for the inhibition of protein ageing. ALTEON Inc. (US) 2002-06-12 — — EP claimed
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-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
US-20040198795-A1 Substituted imidazoliums and methods of use therefor SYNVISTA THERAPEUTICS, INC. 2004-10-07 — — 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
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
EP-1213282-A1 Substituted imidazolium salts and their use for the inhibition of protein ageing. ALTEON Inc. (US) 2002-06-12 — — EP disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 — — US disclosed
EP-0920418-A1 SUBSTITUTED IMIDAZOLIUM SALTS AND THEIR USE FOR THE INHIBITION OF PROTEIN AGEING ALTEON, INC. (US) 1999-06-09 — — EP disclosed
WO-1997042175-A1 SUBSTITUTED IMIDAZOLIUM SALTS AND THEIR USE FOR THE INHIBITION OF PROTEIN AGEING ALTEON INC. (US) 1997-11-13 — — 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 CHRM2 1000/4885HTR1A 3411/4885ADRA2A 1111/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 CHRM2 88/4885HTR1A 1524/4885ADRA2A 289/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 CHRM2 669/4885HTR1A 3363/4885ADRA2A 1114/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 CHRM2 76/4885HTR1A 4016/4885ADRA2A 2008/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 CHRM2 1287/4885HTR1A 3245/4885ADRA2A 574/4885
US-20040198795-A1 Substituted imidazoliums and methods of use therefor AGER, NOTUM, IDE CHRM2 4042/4885HTR1A 4624/4885ADRA2A 4884/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 CHRM2 835/4885HTR1A 3177/4885ADRA2A 1208/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX CHRM2 52/4885HTR1A 4365/4885ADRA2A 1983/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 CHRM2 552/4885HTR1A 2427/4885ADRA2A 114/4885

“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.

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