SCHEMBL10060139

SCHEMBL10060139

CCC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 6/20 0.50
▸ HDAC3 O15379 4/20 0.50
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC7 Q8WUI4 4/20 0.50
▸ HDAC2 Q92769 4/20 0.50
▸ HDAC10 Q969S8 4/20 0.50
▸ HDAC11 Q96DB2 4/20 0.50
▸ HDAC8 Q9BY41 4/20 0.50
▸ HDAC6 Q9UBN7 4/20 0.50
▸ HDAC9 Q9UKV0 4/20 0.50
▸ HDAC5 Q9UQL6 4/20 0.50
▸ SIRT1 Q96EB6 8/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ SIRT2 Q8IXJ6 9/20 0.47
▸ MEF2D Q14814 2/20 0.46
▸ SIRT3 Q9NTG7 3/20 0.46

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
SCHEMBL10060236 0.90 HDAC4 (0.51) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL12560110 0.85 PADI1 (0.56) —
SCHEMBL10060237 0.84 PDE4A (0.53) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL10060142 0.81 KDM1A (0.58) —
SCHEMBL1009191 0.80 HDAC4 (0.47) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL10060143 0.78 PADI6 (0.62) —
SCHEMBL18941863 0.78 HDAC4 (0.45) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL12560124 0.77 PADI1 (0.52) —
SCHEMBL5130136 0.76 HDAC1 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL28316169 0.76 HDAC1 (0.59) HDAC4HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 — — 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-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 HDAC4 42/4885HDAC3 458/4885HDAC1 602/4885

“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.

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