Bromide

Bromide

SCHEMBL3884586

Cc1cccc(C)[n+]1CC(=O)c1ccccc1.[Br-]

nearest known ligand 0.56

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
KMT2A Q03164 8/20 0.53
PABPC1 P11940 1/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.49
MEN1 O00255 4/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 2/20 0.46

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 SCHEMBL1645657 0.80 KMT2A (0.57) KMT2APABPC1ATMPOLBRECQL
SCHEMBL13628823 0.80 KCNH2 (0.45) KMT2APABPC1ATMPOLBRECQL
Bromide SCHEMBL1645919 0.79 KMT2A (0.73) KMT2APABPC1ATMPOLBRECQL
Bromide SCHEMBL6010154 0.78 KMT2A (0.47) KMT2APABPC1ATMPOLBRECQL
Bromide SCHEMBL6228655 0.78 KMT2A (0.49) KMT2APABPC1ATMPOLBRECQL
Bromide SCHEMBL6230012 0.76 KMT2A (0.47) KMT2APABPC1ATMPOLBRECQL
SCHEMBL13394254 0.76 KMT2A (0.70) KMT2APABPC1ATMPOLBRECQL
Bromide SCHEMBL6009729 0.76 ALDH1A1 (0.48) KMT2APABPC1ATMPOLBRECQL
SCHEMBL6229208 0.76 KMT2A (0.48) KMT2APABPC1ATMMEN1RAB9A
Hydrochloric Acid SCHEMBL15262009 0.75 KMT2A (0.43) KMT2APABPC1ATMPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 KMT2A 603/4885PABPC1 4520/4885ATM 1665/4885

“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.