SCHEMBL6038016

SCHEMBL6038016

CN(C)CCSCC(=O)Nc1ccc(CN2c3ccccc3NC(=O)C2Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.45
HDAC8 Q9BY41 9/20 0.45
HDAC6 Q9UBN7 9/20 0.45
HRH3 Q9Y5N1 4/20 0.42
RAB9A P51151 1/20 0.39
CCKBR P32239 1/20 0.38
BCL2A1 Q16548 2/20 0.37
BID P55957 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6038014 1.00 HDAC2 (0.45) HDAC2HDAC8HDAC6HRH3RAB9A
SCHEMBL6037986 0.85 HDAC2 (0.50) HDAC2HDAC8HDAC6HRH3RAB9A
SCHEMBL6037990 0.85 HDAC2 (0.50) HDAC2HDAC8HDAC6HRH3RAB9A
SCHEMBL5283316 0.77 HDAC2 (0.59) HDAC2HDAC8HDAC6
SCHEMBL5283302 0.77 HDAC2 (0.59) HDAC2HDAC8HDAC6
SCHEMBL5081643 0.77 HDAC6 (0.72) HDAC2HDAC8HDAC6RAB9A
SCHEMBL5078378 0.77 HDAC6 (0.72) HDAC2HDAC8HDAC6RAB9A
SCHEMBL5078374 0.77 HDAC6 (0.72) HDAC2HDAC8HDAC6RAB9A
SCHEMBL5282091 0.76 HDAC2 (0.56) HDAC2HDAC8HDAC6MAPT
SCHEMBL5278026 0.72 HDAC2 (0.62) HDAC2HDAC8HDAC6MAPT

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC2 5/4885HDAC8 11/4885HDAC6 17/4885

“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.