Bromide

Bromide

SCHEMBL6218010

Cc1cccc[n+]1CC(=O)c1ccc(C#N)cc1.[Br-]

nearest known ligand 0.65

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 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
THRB P10828 1/20 0.55
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
GSK3B P49841 1/20 0.46
AHR P35869 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL3885368 0.85 THRB (0.55) KMT2ATHRBKDM4EMEN1POLB
Bromide SCHEMBL3884058 0.84 KMT2A (0.74) KMT2ATHRBKDM4EMEN1POLB
SCHEMBL4895899 0.84 GSK3B (0.54) KMT2ATHRBKDM4EMEN1POLB
Bromide SCHEMBL1645919 0.84 KMT2A (0.73) KMT2ATHRBKDM4EMEN1POLB
SCHEMBL13394254 0.82 KMT2A (0.70) KMT2ATHRBKDM4EMEN1POLB
Bromide SCHEMBL3884195 0.81 KMT2A (0.70) KMT2ATHRBKDM4EMEN1POLB
Bromide SCHEMBL1645730 0.81 KMT2A (0.70) KMT2ATHRBKDM4EMEN1POLB
SCHEMBL2230710 0.80 KMT2A (0.68) KMT2ATHRBKDM4EMEN1POLB
SCHEMBL4896174 0.80 KMT2A (0.68) KMT2ATHRBKDM4EMEN1POLB
Bromide SCHEMBL3885379 0.78 KMT2A (0.66) KMT2ATHRBKDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598352-A1 1-Glyoxylamide indolizines for treating cancer Synta Pharmaceuticals Corporation (US) 2005-11-23 EP disclosed
EP-1432709-B8 1-GLYOXYLAMIDE INDOLIZINES FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP (US) 2005-11-02 EP disclosed
EP-1432709-B1 1-GLYOXLYLAMIDE INDOLIZINES FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
EP-1537105-A2 SYNTHESIS OF INDOLIZINES Synta Pharmaceuticals Corporation (US) 2005-06-08 EP disclosed
US-6861436-B2 1-glyoxylamide indolizines for treating cancer SYNTA PHARMACEUTICALS CORP. (US) 2005-03-01 US disclosed
US-20040214850-A1 1-glyoxylamide indolizines for treating cancer SYNTA PHARMACEUTICALS CORP. 2004-10-28 US disclosed
US-20040152897-A1 Synthesis of indolizines SYNTA PHARMACEUTICALS CORP. (US) 2004-08-05 US disclosed
EP-1432709-A1 1-GLYOXLYLAMIDE INDOLIZINES FOR TREATING CANCER Synta Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2004024727-A2 SYNTHESIS OF INDOLIZINES SYNTA PHARMACEUTICALS CORP. (US) 2004-03-25 WO disclosed
US-20030153759-A1 1-Glyoxlylamide indolizines for treating cancer SBR PHARMACEUTICALS CORP. 2003-08-14 US disclosed
WO-2003022846-A1 1-GLYOXLYLAMIDE INDOLIZINES FOR TREATING CANCER SYNTA PHARMACEUTICALS CORP. (US) 2003-03-20 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 (3 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-20040214850-A1 1-glyoxylamide indolizines for treating cancer NR2E1, NR4A1, NR0B1 KMT2A 1211/4885THRB 664/4885KDM4E 2705/4885
US-20040152897-A1 Synthesis of indolizines INMT, IDO1, IDO2 KMT2A 783/4885THRB 4103/4885KDM4E 1552/4885
US-20030153759-A1 1-Glyoxlylamide indolizines for treating cancer NR4A1, NR0B1, NR2E1 KMT2A 919/4885THRB 242/4885KDM4E 1994/4885

“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.