Bromide

Bromide

SCHEMBL1978677

Br.O=c1cc(-c2ccccc2)[nH]c2c(O)c(O)ccc12

nearest known ligand 0.56

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
HPGD P15428 6/20 0.51
LMNA P02545 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 4/20 0.51
TP53 P04637 3/20 0.51
CTSV O60911 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
CTSL P07711 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL1849234 0.98 HPGD (0.53) HPGDLMNAKDM4EHSD17B10TP53
SCHEMBL312031 0.86 TERT (0.49) HPGDLMNAKDM4EHSD17B10ALDH1A1
Bromide SCHEMBL1976213 0.85 CTSV (0.51) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL1848418 0.84 CTSV (0.52) HPGDLMNAKDM4ECTSVCTSL
SCHEMBL9974636 0.82 LMNA (0.62) HPGDLMNAKDM4EHSD17B10TP53
SCHEMBL12588953 0.80 QPCT (0.43) HPGDLMNAKDM4EHSD17B10NPSR1
SCHEMBL12588956 0.80 ALDH1A1 (0.57) HPGDLMNAKDM4EALDH1A1MEN1
SCHEMBL27923242 0.73 HPGD (0.65) HPGDLMNAKDM4EHSD17B10TP53
SCHEMBL8809899 0.73 DHODH (0.62) HPGDLMNAKDM4EHSD17B10TP53
SCHEMBL401897 0.72 LMNA (0.55) HPGDLMNAKDM4EHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895344-B2 Treating various disorders with 7,8-dihydroxyflavone and derivatives thereof EMORY UNIVERSITY (US) 2018-02-20 US disclosed
US-20110144196-A1 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF EMORY UNIVERSITY (US) 2011-06-16 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-20110144196-A1 TREATING VARIOUS DISORDERS WITH 7,8-DIHYDROXYFLAVONE AND DERIVATIVES THEREOF NTRK2, BDNF, HTR7 HPGD 1151/4885LMNA 1994/4885KDM4E 1809/4885

“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.