Bromide

Bromide

SCHEMBL1687203

Cc1ccc(C(N)=O)c[n+]1CC(=O)O.[Br-]

nearest known ligand 0.44

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
ACHE known ✓ P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
NNMT P40261 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RCE1 Q9Y256 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11926118 0.85 KDM4E (0.42) KDM4ENPC1LMNASMN1; SMN2MAPT
Iodide SCHEMBL11261777 0.78 NPC1 (0.40) NPC1SMN1; SMN2MAPTACHENNMT
SCHEMBL14621733 0.75 KDM4E (0.42) KDM4ENPC1LMNASMN1; SMN2MAPT
SCHEMBL4381131 0.71 NNMT (0.50) SMN1; SMN2MAPTACHENNMTKMT2A
Bromide SCHEMBL7178411 0.69 PARP10 (0.41) NPC1MAPTACHENNMTKMT2A
Bromide SCHEMBL1645798 0.67 KDM4E (0.58) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL8120684 0.66 KMT2A (0.54) KDM4ENPC1LMNASMN1; SMN2MAPT
Bromide SCHEMBL3883521 0.66 KDM4E (0.78) KDM4ENPC1LMNASMN1; SMN2MAPT
SCHEMBL12283714 0.66 HSD17B10 (0.39) KDM4ESMN1; SMN2KMT2AALDH1A1TSHR
Iodide SCHEMBL11262176 0.66 ALDH1A1 (0.44) KDM4ENPC1SMN1; SMN2MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-2308874-B1 Bridged monobactams useful as beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-01-23 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
EP-1965798-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS Basilea Pharmaceutica AG (CH) 2008-09-10 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 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 (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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ACHE 135/4885KDM4E 1074/4885NPC1 3556/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ACHE 135/4885KDM4E 1074/4885NPC1 3556/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ACHE 134/4885KDM4E 1140/4885NPC1 3701/4885

“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.