SCHEMBL20518646

SCHEMBL20518646

CC(C)(C)[SiH2]OC(C)(C)c1cnn(CCON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
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
SCHEMBL20518706 0.78 GAA (0.40) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL20518699 0.78 GAA (0.40) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL18839734 0.72 GAA (0.41) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL18839580 0.70 GAA (0.59) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL20518651 0.70 ALDH1A1 (0.31) ALDH1A1RECQLHCRTR1HCRTR2
SCHEMBL18839677 0.66 GAA (0.50) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL18839796 0.66 GAA (0.53) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL22326350 0.64 GAA (0.88) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL15292529 0.64 GAA (0.62) GAAALDH1A1CYP1A2RECQLTDP1
SCHEMBL18839742 0.63 SMN1; SMN2 (0.53) GAAALDH1A1CYP1A2RECQLTDP1

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 4163/4885ALDH1A1 2258/4885CYP1A2 1459/4885

“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.