Bromide

Bromide

SCHEMBL4444689

Br.Br.COC(=O)c1cccc(CSC(=N)N)c1-c1c(CSC(=N)N)cccc1C(=O)OC

nearest known ligand 0.49

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 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.47
HTT P42858 3/20 0.46
HPGD P15428 1/20 0.46
SLC11A2 P49281 2/20 0.44
IDO1 P14902 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 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
SCHEMBL3692373 0.99 LMNA (0.50) LMNAMAPTATMHTTHPGD
Bromide SCHEMBL2887381 0.89 LMNA (0.51) LMNAMAPTATMHTTHPGD
SCHEMBL10395545 0.87 LMNA (0.52) LMNAMAPTATMHTTHPGD
Hydrochloric Acid SCHEMBL30130145 0.86 IDO1 (0.53) LMNAMAPTATMHTTHPGD
Hydrochloric Acid SCHEMBL10742194 0.86 IDO1 (0.53) LMNAMAPTATMHTTHPGD
SCHEMBL19691970 0.79 ATM (0.57) LMNAMAPTATMHTTSLC11A2
Bromide SCHEMBL4445136 0.78 HTT (0.62) LMNAMAPTHTTHPGDSLC11A2
SCHEMBL3690551 0.77 HTT (0.65) LMNAMAPTHTTHPGDSLC11A2
Bromide SCHEMBL3686933 0.76 MAPT (0.59) LMNAMAPTHTTHPGDSLC11A2
SCHEMBL12283815 0.75 ALDH1A1 (0.53) LMNAMAPTATMHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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 (1 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 LMNA 1202/4885MAPT 661/4885ATM 4711/4885

“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.