Bromide

Bromide

SCHEMBL2530199

Br.Brc1ccc(CN2C=CN(Cc3ccc(Br)cc3)C2)cc1

nearest known ligand 0.46

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
ACHE known ✓ P22303 2/20 0.36
CHRM3 known ✓ P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 1/20 0.40
TNIK Q9UKE5 1/20 0.37
PKM P14618 1/20 0.37
BCHE P06276 1/20 0.36
BACE1 P56817 1/20 0.36
IDO1 P14902 1/20 0.35
CHRM5 P08912 2/20 0.35

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
SCHEMBL12220123 0.98 KDM4E (0.47) KDM4EALDH1A1HTR2ATAAR1LMNA
Bromide SCHEMBL2532409 0.92 BCHE (0.46) KDM4EALDH1A1LMNAHTTCYP11B1
SCHEMBL12220164 0.90 BCHE (0.47) KDM4EALDH1A1LMNAHTTCYP11B1
Bromide SCHEMBL2535732 0.83 KMT2A (0.50) CYP19A1PKMACHE
SCHEMBL12220217 0.81 KMT2A (0.51) CYP19A1PKMACHE
Bromide SCHEMBL2529296 0.78 RAB9A (0.43) ALDH1A1TAAR1HTTRAB9ACYP11B1
Bromide SCHEMBL2531329 0.78 HIF1A (0.36) HTR2AIDO1
SCHEMBL12220145 0.77 KDM4E (0.48) KDM4EALDH1A1TAAR1LMNAHTT
Bromide SCHEMBL1046639 0.77 SIGMAR1 (0.50) KDM4EALDH1A1LMNACYP19A1
Bromide SCHEMBL2535023 0.76 SMN1; SMN2 (0.54) KDM4ETAAR1SMN1; SMN2CYP11B1CYP11B2

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-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT ACHE 2517/4885CHRM3 546/4885KDM4E 3006/4885

“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.