Bromide

Bromide

SCHEMBL3894863

Cc1cccc[n+]1CC(=O)c1ccccn1.[Br-]

nearest known ligand 0.53

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 4/20 0.53
THRB P10828 1/20 0.48
CTNNB1 P35222 4/20 0.48
WNT3A P56704 3/20 0.48
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM4 Q14833 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
MEN1 O00255 2/20 0.39
MMP14 P50281 1/20 0.39
KDM4E B2RXH2 2/20 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
Bromide SCHEMBL1647594 0.80 KMT2A (0.51) KMT2ATHRBCTNNB1WNT3AALDH1A1
Bromide SCHEMBL7770547 0.78 KMT2A (0.53) KMT2ACTNNB1WNT3AALDH1A1CES2
Bromide SCHEMBL3890163 0.78 KMT2A (0.49) KMT2ATHRBSMN1; SMN2NPC1POLB
Bromide SCHEMBL3885379 0.78 KMT2A (0.66) KMT2ATHRBALDH1A1SMN1; SMN2NPC1
Bromide SCHEMBL5900356 0.77 KMT2A (0.51) KMT2ACTNNB1WNT3AALDH1A1CES2
Bromide SCHEMBL1645919 0.76 KMT2A (0.73) KMT2ATHRBALDH1A1SMN1; SMN2NPC1
SCHEMBL2601877 0.76 LMNA (0.53) KMT2ACTNNB1WNT3AALDH1A1CES2
Bromide SCHEMBL3843812 0.76 KMT2A (0.54) KMT2ACTNNB1WNT3AALDH1A1CES2
Bromide SCHEMBL8081586 0.76 KMT2A (0.54) KMT2ACTNNB1WNT3AALDH1A1CES2
Bromide SCHEMBL3845240 0.76 CTNNB1 (0.45) KMT2ACTNNB1WNT3AALDH1A1CES2

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-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

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 603/4885THRB 2955/4885CTNNB1 4412/4885

“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.