SCHEMBL26436622

SCHEMBL26436622

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC8 Q9BY41 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
CTSK P43235 7/20 0.61
CTSS P25774 1/20 0.60
SIRT5 Q9NXA8 1/20 0.54
SIRT2 Q8IXJ6 7/20 0.53
SIRT1 Q96EB6 4/20 0.53
SIRT3 Q9NTG7 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL23454631 1.00 HDAC4 (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL3763472 0.92 HDAC4 (0.61) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL30861281 0.90 HDAC4 (0.65) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2925561 0.89 HDAC4 (0.64) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL23483309 0.88 CTSK (0.55) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL27613652 0.87 HDAC4 (0.61) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL31092596 0.87 SIRT2 (0.57) CTSSSIRT2SIRT1SIRT3MEN1
SCHEMBL23188882 0.87 HDAC8 (0.59) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL8699255 0.87 HDAC8 (0.59) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL8699259 0.87 HDAC8 (0.59) HDAC4HDAC1HDAC8HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
EP-4066896-A1 G9A INHIBITOR RIKEN (JP) 2022-10-05 EP 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L HDAC4 237/4885HDAC1 38/4885HDAC8 201/4885

“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.