Bromide

Bromide

SCHEMBL3854391

Br.Cc1cc(C)c(C(=O)CN2C=CN(C)C2)c(C)c1

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
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALOX15 P16050 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ TAS1R2 Q8TE23 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
Iodide SCHEMBL10529421 0.82 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1ALOX15KMT2A
Bromide SCHEMBL10526860 0.81 NPC1 (0.46) ALDH1A1MAPTKMT2AMEN1POLB
Iodide SCHEMBL27281690 0.80 TPMT (0.36) ALDH1A1MAPTMAPK1ALOX15KMT2A
SCHEMBL10526766 0.79 NPC1 (0.47) ALDH1A1MAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL10528486 0.78 NPC1 (0.46) ALDH1A1MAPTKMT2AMEN1POLB
Bromide SCHEMBL10528564 0.77 KMT2A (0.49) ALDH1A1MAPTMAPK1ALOX15GAA
Bromide SCHEMBL10528581 0.75 CTNNB1 (0.42) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL10531146 0.75 KMT2A (0.50) ALDH1A1MAPTMAPK1ALOX15GAA
Bromide SCHEMBL10529228 0.75 ERCC5 (0.43) KMT2A
Bromide SCHEMBL6009516 0.74 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1

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 11 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
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
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 — — US 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
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 — — US 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 ALDH1A1 175/4885MAPT 3022/4885MAPK1 3400/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 ALDH1A1 366/4885MAPT 2131/4885MAPK1 3561/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ALDH1A1 204/4885MAPT 3408/4885MAPK1 4033/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 ALDH1A1 192/4885MAPT 4025/4885MAPK1 3335/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ALDH1A1 402/4885MAPT 2569/4885MAPK1 3518/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 ALDH1A1 261/4885MAPT 2807/4885MAPK1 3734/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX ALDH1A1 431/4885MAPT 3982/4885MAPK1 3967/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ALDH1A1 448/4885MAPT 4108/4885MAPK1 4032/4885

“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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