SCHEMBL3630464

SCHEMBL3630464

CC(=O)C[n+]1cccc(C(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
HSP90AA1 P07900 8/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NNMT P40261 1/20 0.56
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
BACE1 P56817 1/20 0.50
MEN1 O00255 1/20 0.50

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
Hydrochloric Acid SCHEMBL3066387 0.98 HSP90AA1 (0.61) MAPTHSP90AA1NPSR1L3MBTL1NNMT
SCHEMBL5430523 0.86 MAPT (0.63) MAPTHSP90AA1NPSR1L3MBTL1NNMT
Hydrochloric Acid SCHEMBL3072623 0.84 HSP90AA1 (0.64) MAPTHSP90AA1NPSR1L3MBTL1NNMT
SCHEMBL677578 0.82 NPSR1 (0.61) MAPTHSP90AA1NPSR1L3MBTL1NNMT
SCHEMBL28017108 0.82 HSP90AA1 (0.66) MAPTHSP90AA1NPSR1L3MBTL1NNMT
SCHEMBL16674216 0.82 NPSR1 (0.65) MAPTHSP90AA1NPSR1L3MBTL1NNMT
SCHEMBL11926720 0.81 HSP90AA1 (0.44) MAPTHSP90AA1ATMBACE1
SCHEMBL10918992 0.80 L3MBTL1 (0.63) MAPTHSP90AA1NPSR1L3MBTL1NNMT
SCHEMBL12205239 0.80 ALDH1A1 (0.64) MAPTHSP90AA1KMT2AATMMEN1
Bromide SCHEMBL11257226 0.80 MAPT (0.78) MAPTHSP90AA1NPSR1L3MBTL1KMT2A

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
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-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
WO-2010123963-A2 UTILIZING ELECTROMAGNETIC RADIATION TO ACTIVATE FILTERCAKE BREAKERS DOWNHOLE HORTON AMY C (US) 2010-10-28 WO disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 WO disclosed
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP 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 MAPT 3122/4885HSP90AA1 4031/4885NPSR1 4814/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M MAPT 3122/4885HSP90AA1 4031/4885NPSR1 4814/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M MAPT 3096/4885HSP90AA1 4080/4885NPSR1 4834/4885

“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.