Bromide

Bromide

SCHEMBL622294

Br.CCc1ccc(C(=O)CBr)nc1

nearest known ligand 0.45

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
L3MBTL1 Q9Y468 5/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MPC2 O95563 1/20 0.43
CYP2C8 P10632 1/20 0.43

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
SCHEMBL10084638 0.98 L3MBTL1 (0.46) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL10066438 0.84 L3MBTL1 (0.49) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL12291731 0.81 MAPT (0.46) L3MBTL1MAPTKDM4EALDH1A1MEN1
Bromide SCHEMBL7477106 0.79 GSK3B (0.50) MAPTKDM4EALDH1A1NFKB1TDP1
SCHEMBL286868 0.78 KDM4E (0.69) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL622903 0.78 L3MBTL1 (0.50) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL10229549 0.78 L3MBTL1 (0.44) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL12288371 0.77 PPARG (0.60) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL10085213 0.77 L3MBTL1 (0.45) L3MBTL1MAPTKDM4EALDH1A1MEN1
Bromide SCHEMBL30518647 0.77 P4HTM (0.44) KDM4EALDH1A1MEN1LMNACYP1A2

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-2603507-B1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEV CO LLC (US) 2016-06-29 EP disclosed
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES CIRIUS THERAPEUTICS, INC. 2016-02-25 US disclosed
EP-2931274-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Metabolic Solutions Development Company LLC (US) 2015-10-21 EP disclosed
US-8946435-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2015-02-03 US disclosed
US-20140378687-A1 Synthesis for Thiazolidinedione Compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC 2014-12-25 US disclosed
US-8895748-B2 Synthesis for thiazolidinedione compounds METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2014-11-25 US disclosed
WO-2014093114-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2014-06-19 WO disclosed
US-20130211092-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY LLC (US) 2013-08-15 US disclosed
EP-2603507-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS Metabolic Solutions Development Company LLC (US) 2013-06-19 EP disclosed
WO-2012177956-A1 PPAR-SPARING COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND OTHER METABOLIC DISEASES METABOLIC SOLUTIONS DEVELOPMENT COMAPNY, LLC (US) 2012-12-27 WO disclosed
WO-2012021467-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC (US) 2012-02-16 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 (3 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-20130211092-A1 SYNTHESIS FOR THIAZOLIDINEDIONE COMPOUNDS PPARD, PPARG, PPARA L3MBTL1 3279/4885MAPT 3537/4885KDM4E 1400/4885
US-20160051529-A1 PPAR-SPARING THIAZOLIDINEDIONES AND COMBINATIONS FOR THE TREATMENT OF NEURODEGENERATIVE AND OTHER METABOLIC DISEASES PPARD, PPARG, PPARA L3MBTL1 4250/4885MAPT 137/4885KDM4E 2439/4885
US-20140378687-A1 Synthesis for Thiazolidinedione Compounds PPARD, PPARG, PPARA L3MBTL1 3279/4885MAPT 3537/4885KDM4E 1400/4885

“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.