SCHEMBL23453058

SCHEMBL23453058

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
TDP1 Q9NUW8 2/20 0.40
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TMIGD3 P0DMS9 4/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
HTT P42858 1/20 0.37
ADORA2B P29275 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL23453050 0.97 TDP1 (0.40) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL23453059 0.95 TDP1 (0.41) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL23453049 0.92 TDP1 (0.41) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL6803680 0.88 TDP1 (0.40) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL23453046 0.84 TMIGD3 (0.40) HDAC1HDAC2TDP1TMIGD3ADORA2A
SCHEMBL1404474 0.83 DAPK1 (0.47) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL17739752 0.82 GALR3 (0.40) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL8649567 0.81 CKS1B (0.40) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL7263078 0.81 HDAC1 (0.41) HDAC1HDAC2TDP1CCNE2CCNE1
SCHEMBL23453045 0.80 PDE4A (0.38) HDAC1HDAC2TDP1TMIGD3ADORA2A

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 HDAC1 3118/4885HDAC2 2432/4885TDP1 775/4885

“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.