Bromide

Bromide

SCHEMBL3335164

CCCCCCCCCCCCCCS(=O)(=O)N1CC[N+](C)(Cc2ccc(F)cc2)CC1.[Br-]

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C1 P04150 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.34
PSMD14 O00487 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
MC4R P32245 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PDE3B Q13370 1/20 0.33

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 SCHEMBL3336906 1.00 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3333178 1.00 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3338324 1.00 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3331723 1.00 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3336165 1.00 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3334662 1.00 L3MBTL1 (0.45) L3MBTL1LMNASMN1; SMN2NR3C1POLB
SCHEMBL4300850 0.99 L3MBTL1 (0.46) L3MBTL1LMNASMN1; SMN2NR3C1POLB
Bromide SCHEMBL3333733 0.89 MEN1 (0.39) L3MBTL1LMNASMN1; SMN2POLBGLA
Bromide SCHEMBL3331864 0.89 MEN1 (0.39) L3MBTL1LMNASMN1; SMN2POLBGLA
Bromide SCHEMBL3332422 0.88 FKBP1A (0.41) LMNASMN1; SMN2KDM4EGLANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144708-A1 HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER KOREA RESEARCH INSTITITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-06-10 US claimed
EP-2054398-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER Korea Research Institute of Bioscience and Biotechnology (KR) 2009-05-06 EP claimed
WO-2008018778-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-14 WO claimed
US-20100144708-A1 HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER KOREA RESEARCH INSTITITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2054398-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER Korea Research Institute of Bioscience and Biotechnology (KR) 2009-05-06 EP disclosed
WO-2008018778-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-14 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-20100144708-A1 HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER RHOT2, BAX, BCL2 L3MBTL1 2422/4885LMNA 1669/4885SMN1; SMN2 3435/4885

“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.