SCHEMBL5584035

SCHEMBL5584035

Nc1ccccc1NC(=O)c1ccc(CNC2(OC(=O)NCCN3CCOCC3)Nc3ccccc3S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.48
BCL3 P20749 4/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HDAC2 Q92769 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL13390549 0.74 HDAC1 (0.62) HDAC1BCL3ALDH1A1GAAHDAC2
SCHEMBL13646217 0.72 HDAC1 (0.61) HDAC1ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL5584036 0.70 HDAC1 (0.62) HDAC1GAA
SCHEMBL3558274 0.70 HDAC1 (0.71) HDAC1ALDH1A1HDAC2HDAC3HDAC4
SCHEMBL211110 0.69 HDAC1 (0.80) HDAC1
SCHEMBL3546995 0.68 HDAC1 (0.56) HDAC1BCL3ALDH1A1GAAHDAC2
SCHEMBL17554020 0.67 BCL3 (0.76) BCL3ALDH1A1GAAPOLB
SCHEMBL210528 0.67 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC11HDAC8
SCHEMBL2407119 0.66 HDAC1 (0.56) HDAC1BCL3ALDH1A1GAAHDAC2
SCHEMBL2407116 0.66 HDAC1 (0.56) HDAC1BCL3ALDH1A1GAAHDAC2

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885BCL3 257/4885ALDH1A1 758/4885

“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.