SCHEMBL20518688

SCHEMBL20518688

CC(C)(C)[SiH2]OC(C)(C)c1cnnn1CC(=O)NN

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20518661 0.84 PTGS2 (0.41) ALDH1A1
SCHEMBL20518659 0.72 GLA (0.33) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL20518706 0.65 GAA (0.40) ALDH1A1RECQLMEN1KMT2A
SCHEMBL480924 0.62 SYK (0.33) KDM4EALDH1A1
SCHEMBL20518651 0.61 ALDH1A1 (0.31) ALDH1A1RECQL
SCHEMBL19988112 0.58 ALDH1A1 (0.40) ALDH1A1
SCHEMBL20518685 0.58 NR1H4 (0.33)
SCHEMBL18839886 0.57 SMN1; SMN2 (0.41) KDM4EALDH1A1PKMRECQLMEN1
SCHEMBL24664647 0.57 PTGS2 (0.45) KDM4EALDH1A1PKM
SCHEMBL18839784 0.57 MAPK1 (0.56) KDM4EALDH1A1PKMRECQLMEN1

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 KDM4E 4330/4885ALDH1A1 2258/4885PKM 3431/4885

“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.