Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL6485753

Br.Nc1c(Br)cc(C(=O)CC(N)C(=O)O)cc1Br

nearest known ligand 0.50

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
▸ KMO O15229 3/20 0.50
▸ GSK3B P49841 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ GRIK1 P39086 2/20 0.35
▸ GRIK2 Q13002 2/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
Bromide SCHEMBL6479497 1.00 KMO (0.50) KMOGSK3BKDM4EHIF1ATDP1
SCHEMBL6490023 0.78 KMO (0.69) KMOKDM4EHIF1ATDP1
SCHEMBL6490028 0.78 KMO (0.69) KMOKDM4EHIF1ATDP1
SCHEMBL26119012 0.74 KMO (0.58) KMOGSK3BKDM4EHIF1ATDP1
SCHEMBL7301146 0.74 SLC7A5 (0.53) KDM4EHIF1ATDP1USP2RGS12
Hydrochloric Acid SCHEMBL27418237 0.72 KMO (0.59) KMOGSK3BKDM4EHIF1ATDP1
Hydrochloric Acid SCHEMBL27418236 0.72 KMO (0.59) KMOGSK3BKDM4EHIF1ATDP1
SCHEMBL5367583 0.72 GSK3B (0.53) GSK3BMAPT
SCHEMBL9064982 0.72 KMO (0.60) KMOKDM4EHIF1ATDP1GRM2
SCHEMBL5368082 0.72 GSK3B (0.48) GSK3BKDM4EHIF1APKMHSD17B10

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-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 — — US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 — — 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 KMO 3092/4885GSK3B 3514/4885KDM4E 4675/4885

“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.