Bromide

Bromide

SCHEMBL4937075

O=C(C[n+]1ccsc1[N+](=O)[O-])c1ccccc1.[Br-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
PLA2G2A P14555 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 2/20 0.44
RECQL P46063 1/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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 SCHEMBL6074531 0.77 ALDH1A1 (0.55) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL18745980 0.75 RAB9A (0.55) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL23752059 0.75 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL3845958 0.74 RAB9A (0.54) ALDH1A1MAPTHTTMITFKMT2A
Bromide SCHEMBL6009338 0.73 KMT2A (0.51) ALDH1A1HTTKMT2AMEN1RAB9A
Bromide SCHEMBL6010208 0.72 ALDH1A1 (0.50) ALDH1A1HTTKMT2AMEN1RAB9A
Bromide SCHEMBL6009336 0.72 ALDH1A1 (0.50) ALDH1A1HTTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL7421854 0.71 ALDH1A1 (0.49) ALDH1A1MAPTHTTMITFKMT2A
Bromide SCHEMBL4937084 0.69 ALDH1A1 (0.43) LTA4HPLA2G2AALDH1A1MAPTHTT
Bromide SCHEMBL6009269 0.69 OPRM1 (0.54) ALDH1A1MAPTHTTKMT2AMEN1

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-20080293931-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors LOS ALAMOS NATIONAL SECURITY, LLC 2008-11-27 US disclosed
US-20070065841-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors ENERGY, U.S. DEPARTMENT OF 2007-03-22 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 (2 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-20080293931-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors POLRMT, FBL, POLL LTA4H 3556/4885PLA2G2A 3494/4885ALDH1A1 2004/4885
US-20070065841-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors POLRMT, FBL, POLL LTA4H 3556/4885PLA2G2A 3494/4885ALDH1A1 2004/4885

“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.