Bromide

Bromide

SCHEMBL2534729

Br.O=[N+]([O-])c1ccc(CN2C=CN(Cc3ccc([N+](=O)[O-])cc3)C2)cc1

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
KDM4E B2RXH2 1/20 0.53
KCNJ1 P48048 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DBH P09172 1/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
KCNH2 Q12809 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
CYP19A1 P11511 1/20 0.47
GBA1 P04062 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 1/20 0.46
P2RX4 Q99571 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL12220148 0.98 KDM4E (0.54) KDM4EKCNJ1ALDH1A1LMNAMAPT
Bromide SCHEMBL2526024 0.84 POLB (0.43) KDM4EKCNJ1ALDH1A1LMNAMAPT
SCHEMBL27374302 0.77 KDM4E (0.48) KDM4EKCNJ1ALDH1A1LMNAMAPT
SCHEMBL31011703 0.75 KDM4E (0.57) KDM4EKCNJ1ALDH1A1LMNAMAPT
SCHEMBL15340821 0.74 KDM4E (0.59) KDM4EKCNJ1ALDH1A1LMNAMAPT
SCHEMBL14045402 0.73 KDM4E (0.51) KDM4EKCNJ1ALDH1A1LMNAMAPT
Bromide SCHEMBL9661832 0.73 GSK3B (0.54) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL2206628 0.73 KDM4E (0.73) KDM4EKCNJ1ALDH1A1LMNAMAPT
SCHEMBL7232102 0.73 KDM4E (0.63) KDM4EKCNJ1ALDH1A1LMNAMAPT
SCHEMBL3156886 0.73 KDM4E (0.73) KDM4EKCNJ1ALDH1A1LMNAMAPT

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 KDM4E 3006/4885KCNJ1 987/4885ALDH1A1 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.