Bromide

Bromide

SCHEMBL3849504

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

nearest known ligand 0.44

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
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR2A P28223 7/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 4/20 0.40
ATM Q13315 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40

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 SCHEMBL5004650 0.87 PTPN1 (0.42) PTPN1KDM4ESMN1; SMN2ALDH1A1NPC1
Bromide SCHEMBL3845607 0.87 PTPN1 (0.42) PTPN1KDM4ESMN1; SMN2ALDH1A1NPC1
Bromide SCHEMBL3851561 0.86 MAPT (0.50) KDM4ESMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL6535470 0.85 PTPN1 (0.43) PTPN1KDM4ESMN1; SMN2ALDH1A1NPC1
Bromide SCHEMBL2954276 0.85 ALDH1A1 (0.48) PTPN1KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL6938200 0.84 ALDH1A1 (0.49) KDM4ESMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL1820216 0.84 ALDH1A1 (0.46) PTPN1KDM4ESMN1; SMN2ALDH1A1HTT
Bromide SCHEMBL3845606 0.83 ALDH1A1 (0.60) KDM4EALDH1A1HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL33828 0.82 RAB9A (0.46) PTPN1KDM4ESMN1; SMN2ALDH1A1HTT
Bromide SCHEMBL3843810 0.81 HTR2A (0.43) KDM4ESMN1; SMN2HTR2ANPC1RAB9A

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 13 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-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
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
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
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 (6 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 PTPN1 3978/4885KDM4E 3755/4885SMN1; SMN2 605/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 PTPN1 4787/4885KDM4E 4361/4885SMN1; SMN2 3940/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 PTPN1 3830/4885KDM4E 3863/4885SMN1; SMN2 549/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 PTPN1 4026/4885KDM4E 3627/4885SMN1; SMN2 1693/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 PTPN1 3887/4885KDM4E 3355/4885SMN1; SMN2 295/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 PTPN1 4599/4885KDM4E 4392/4885SMN1; 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.