SCHEMBL10060236

SCHEMBL10060236

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 10/20 0.51
▸ HDAC3 O15379 8/20 0.51
▸ HDAC1 Q13547 8/20 0.51
▸ HDAC7 Q8WUI4 8/20 0.51
▸ HDAC2 Q92769 8/20 0.51
▸ HDAC10 Q969S8 8/20 0.51
▸ HDAC11 Q96DB2 8/20 0.51
▸ HDAC8 Q9BY41 8/20 0.51
▸ HDAC6 Q9UBN7 8/20 0.51
▸ HDAC9 Q9UKV0 8/20 0.51
▸ HDAC5 Q9UQL6 8/20 0.51
▸ NCOR2 Q9Y618 1/20 0.48
▸ MEF2D Q14814 2/20 0.47
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2A Q12879 2/20 0.46
▸ SIRT1 Q96EB6 2/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 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
SCHEMBL10060139 0.90 HDAC4 (0.50) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL10060141 0.85 KDM1A (0.57) GRIN1GRIN2APDE4APDE4BPDE4C
SCHEMBL1979577 0.84 PADI4 (0.63) GRIN1GRIN2APDE4APDE4BPDE4C
SCHEMBL20138329 0.84 PADI4 (0.63) GRIN1GRIN2APDE4APDE4BPDE4C
SCHEMBL10061251 0.83 PDE4A (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL1009191 0.81 HDAC4 (0.47) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL10060235 0.80 KDM1A (0.59) PADI6PADI4PADI2
SCHEMBL10060238 0.79 PADI6 (0.55) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL18941863 0.78 HDAC4 (0.45) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL10060566 0.78 PADI6 (0.69) PDE4APDE4BPDE4CPDE4DPADI6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969333-B2 Therapeutic compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-03 — — US disclosed
US-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2014-09-25 — — US disclosed
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 (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-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 HDAC4 42/4885HDAC3 458/4885HDAC1 602/4885
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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