SCHEMBL20518699

SCHEMBL20518699

CC(C)(C)[SiH2]OC(C)(C)c1cn(CCON2C(=O)c3ccccc3C2=O)nn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.39
HSP90AB1 P08238 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20518646 0.78 GAA (0.40) GAARECQLALDH1A1CYP1A2TDP1
SCHEMBL20518706 0.76 GAA (0.40) GAARECQLALDH1A1CYP1A2TDP1
SCHEMBL18839649 0.72 HSP90AB1 (0.49) GAARECQLHSP90AB1ALDH1A1MEN1
SCHEMBL1461804 0.72 HSP90AB1 (0.47) GAARECQLHSP90AB1ALDH1A1CYP1A2
SCHEMBL20518685 0.71 NR1H4 (0.33) HTT
SCHEMBL1461801 0.69 GAA (0.38) GAARECQLHSP90AB1ALDH1A1CYP1A2
SCHEMBL12275366 0.69 GAA (0.42) GAARECQLHSP90AB1ALDH1A1CYP1A2
SCHEMBL12451342 0.69 CA1 (0.46) GAARECQLHSP90AB1ALDH1A1POLB
SCHEMBL1461856 0.69 GAA (0.40) GAARECQLHSP90AB1ALDH1A1CYP1A2
SCHEMBL12275365 0.67 HSP90AB1 (0.45) GAARECQLHSP90AB1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS GAA 4163/4885RECQL 4067/4885HSP90AB1 3846/4885

“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.