SCHEMBL23453050

SCHEMBL23453050

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NCC(=O)OCc3ccccc3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
TMIGD3 P0DMS9 4/20 0.39
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
HTT P42858 1/20 0.39
ADORA2B P29275 1/20 0.39
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL23453058 0.97 HDAC1 (0.41) TDP1HDAC1HDAC2TMIGD3ADORA2A
SCHEMBL23453049 0.94 TDP1 (0.41) TDP1HDAC1HDAC2TMIGD3ADORA2A
SCHEMBL23453059 0.92 TDP1 (0.41) TDP1HDAC1HDAC2TMIGD3ADORA2A
SCHEMBL6803680 0.90 TDP1 (0.40) TDP1HDAC1HDAC2TMIGD3ADORA2A
SCHEMBL1404474 0.86 DAPK1 (0.47) TDP1HDAC1HDAC2CCNE2CCNE1
SCHEMBL17739752 0.84 GALR3 (0.40) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL8649567 0.83 CKS1B (0.40) TDP1HDAC1HDAC2HTTCCNE2
SCHEMBL7263078 0.83 HDAC1 (0.41) TDP1HDAC1HDAC2CCNE2CCNE1
SCHEMBL12712246 0.82 CCNE2 (0.33) TDP1HDAC1HDAC2CCNE2CCNE1
SCHEMBL7843680 0.82 CCNE2 (0.39) HDAC1HDAC2CCNE2CCNE1CDK2

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-20210163541-A1 Method for Preparing PNA Oligomer SEASUNBIO MATERIALS (KR) 2021-06-03 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-20210163541-A1 Method for Preparing PNA Oligomer NCL, NOD1, POLI TDP1 775/4885HDAC1 3118/4885HDAC2 2432/4885

“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.