SCHEMBL16201636

SCHEMBL16201636

CC(C)c1c2n(c3ncccc13)C(=O)N(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
FEN1 P39748 2/20 0.35
TLR9 Q9NR96 5/20 0.33
TLR8 Q9NR97 5/20 0.33
TLR7 Q9NYK1 5/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP14 P54578 1/20 0.32
PIM1 P11309 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL16201664 0.79 PER2 (0.37)
SCHEMBL16201633 0.75 TLR8 (0.38) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL16201646 0.74 HRH1 (0.34) FEN1TLR9TLR8TLR7ALDH1A1
SCHEMBL16201641 0.73 FEN1 (0.36) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL16201637 0.72 FEN1 (0.35) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL16201655 0.71 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL16201654 0.69 TLR9 (0.37) TLR9TLR8TLR7
SCHEMBL29302055 0.65 FEN1 (0.44) PDE4AFEN1TLR9TLR8TLR7
SCHEMBL16201632 0.64 FEN1 (0.35) PDE4APDE4BPDE4CPDE4DFEN1
SCHEMBL9726994 0.63 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 PDE4A 2505/4885PDE4B 2112/4885PDE4C 2411/4885

“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.