SCHEMBL20031069

SCHEMBL20031069

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nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MMP13 P45452 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL16281194 0.84 CTSK (0.35) CTSKHDAC6HDAC1HDAC2MMP13
SCHEMBL5051892 0.84 CTSK (0.35) CTSKHDAC6HDAC1HDAC2NFKB1
SCHEMBL12829294 0.83 HDAC6 (0.38) CTSKHDAC6HDAC1HDAC2MMP13
SCHEMBL7657774 0.83 AAK1 (0.39) CTSKHDAC6HDAC1HDAC2MMP13
SCHEMBL6674299 0.83 AAK1 (0.39) CTSKHDAC6HDAC1HDAC2MMP13
SCHEMBL7385821 0.83 AAK1 (0.39) CTSKHDAC6HDAC1HDAC2MMP13
SCHEMBL26027926 0.81 CTSK (0.38) CTSKHDAC6HDAC1HDAC2
SCHEMBL6673921 0.81 CTSK (0.35) CTSKHDAC6HDAC1HDAC2AAK1
SCHEMBL20031035 0.81 CTSK (0.33) CTSKHDAC6HDAC1HDAC2
SCHEMBL23279459 0.80 CTSK (0.35) CTSKHDAC6HDAC1HDAC2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585583-A Non-peptide IAP (inhibitor of apoptosis protein) antagonist as well as synthetic method and application thereof UNIV GUANGDONG TECHNOLOGY 2016-05-18 CN claimed
EP-4046995-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2023-09-13 EP disclosed
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2019-07-02 US disclosed
CN-105585583-B A kind of non-peptides apoptosis inhibitory protein antagonist and its synthetic method and application 广东工业大学 2018-04-13 CN disclosed
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 US disclosed
CN-105585583-A Non-peptide IAP (inhibitor of apoptosis protein) antagonist as well as synthetic method and application thereof UNIV GUANGDONG TECHNOLOGY 2016-05-18 CN 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 (2 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-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 CTSK 3392/4885HDAC6 59/4885HDAC1 10/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 CTSK 3392/4885HDAC6 59/4885HDAC1 10/4885

“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.