Bromide

Bromide

SCHEMBL2529296

Br.Fc1ccc(CN2C=CN(Cc3ccc(F)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 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
DBH P09172 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 1/20 0.40
SLC2A1 P11166 1/20 0.40
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12220186 0.98 RAB9A (0.44) RAB9AMAPTALDH1A1POLBTHRB
Bromide SCHEMBL2531329 0.78 HIF1A (0.36) IDO1
Bromide SCHEMBL2530199 0.78 KDM4E (0.46) RAB9AALDH1A1TAAR1CYP11B1CYP11B2
SCHEMBL12220145 0.77 KDM4E (0.48) RAB9AMAPTALDH1A1POLBTHRB
Bromide SCHEMBL1046639 0.77 SIGMAR1 (0.50) ALDH1A1POLBCYP19A1
SCHEMBL12220165 0.76 CYP3A4 (0.37) IDO1
Hydrochloric Acid SCHEMBL2533088 0.76 ALDH1A1 (0.47) RAB9AMAPTALDH1A1POLBTHRB
SCHEMBL12220123 0.76 KDM4E (0.47) RAB9AALDH1A1TAAR1CYP11B1CYP11B2
SCHEMBL28258807 0.75 RGS4 (0.39) MAPTALDH1A1POLBTHRB
SCHEMBL1044027 0.75 SIGMAR1 (0.52) ALDH1A1POLBCYP19A1

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
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
WO-2010025558-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF AS ANTIMALARIALS UNIVERSITY HAEALTH NETWORK (CA) 2010-03-11 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 (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 RAB9A 1643/4885MAPT 4065/4885ALDH1A1 3979/4885

“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.