Bromide

Bromide

SCHEMBL2526053

Br.c1ccc(CN2CN(Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1

nearest known ligand 0.45

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
▸ SIGMAR1 known ✓ Q99720 2/20 0.45
▸ KMT2A Q03164 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL12220245 0.98 SIGMAR1 (0.46) SIGMAR1KMT2APOLBCYP2D6CYP2C9
Bromide SCHEMBL2195679 0.87 ALDH1A1 (0.41) SIGMAR1KMT2APOLBCYP2D6CYP2C9
Bromide SCHEMBL1046939 0.78 BRD4 (0.50) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL1041747 0.76 BRD4 (0.51) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL29439121 0.76 BRD4 (0.51) SIGMAR1KMT2APOLBCYP2D6CYP2C9
Hydrochloric Acid SCHEMBL20263729 0.74 BRD4 (0.50) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL4084447 0.74 LMNA (0.48) SIGMAR1KMT2APOLBCYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4081730 0.72 LMNA (0.47) SIGMAR1KMT2APOLBCYP2D6CYP2C9
Bromide SCHEMBL1078692 0.72 SIGMAR1 (0.38) SIGMAR1KMT2APOLBCYP2D6CYP2C9
Bromide SCHEMBL2192349 0.71 MC4R (0.40) SIGMAR1KMT2APOLBCYP2D6CYP2C9

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 SIGMAR1 209/4885KMT2A 3456/4885POLB 3504/4885

“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.

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