SCHEMBL12205239

SCHEMBL12205239

COC(=O)c1ccc[n+](CC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
RECQL P46063 1/20 0.64
HTT P42858 2/20 0.54
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.47
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
KMT2A Q03164 3/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
HSP90AA1 P07900 4/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10307403 0.83 ALDH1A1 (0.59) ALDH1A1RECQLHTTGLATSHR
Bromide SCHEMBL7514295 0.83 ALDH1A1 (0.76) ALDH1A1RECQLHTTGLATSHR
SCHEMBL5445229 0.81 ALDH1A1 (0.57) ALDH1A1RECQLHTTGLATSHR
SCHEMBL11926114 0.81 HSP90AA1 (0.47) ALDH1A1RECQLGLAAPOBEC3AAPOBEC3G
SCHEMBL10307413 0.81 ALDH1A1 (0.57) ALDH1A1RECQLHTTGLATSHR
SCHEMBL3841660 0.81 ALDH1A1 (0.57) ALDH1A1RECQLHTTGLATSHR
SCHEMBL3630464 0.80 MAPT (0.60) KMT2AATMHSP90AA1MAPTMEN1
SCHEMBL10307400 0.79 ALDH1A1 (0.56) ALDH1A1RECQLHTTGLATSHR
Bromide SCHEMBL4504186 0.79 ALDH1A1 (0.56) ALDH1A1RECQLHTTGLATSHR
SCHEMBL8038922 0.79 ALDH1A1 (0.56) ALDH1A1RECQLHTTGLATSHR

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
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 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-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ALDH1A1 2423/4885RECQL 1957/4885HTT 4868/4885

“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.