SCHEMBL4164039

SCHEMBL4164039

O=C(CCCC(=O)c1ccccc1)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC3 O15379 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
NCOR2 Q9Y618 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.38
MEF2D Q14814 1/20 0.37
CCKBR P32239 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3507605 0.87 GPR139 (0.42) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL4605614 0.86 CES1 (0.45) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL4159631 0.81 HDAC4 (0.47) HDAC1HDAC2HDAC4HDAC3HDAC7
Trifluoroacetic Acid SCHEMBL4166937 0.80 FABP4 (0.36) HDAC1HDAC2HDAC4KMT2AMEN1
SCHEMBL4606348 0.78 POLB (0.39) HDAC1HDAC2KMT2AMEN1POLB
SCHEMBL4621007 0.77 POLB (0.51) KMT2AMEN1POLBALDH1A1
SCHEMBL4156708 0.77 CCKBR (0.34) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL4154125 0.77 PADI4 (0.41) HDAC1KMT2AMEN1POLBGAA
Trifluoroacetic Acid SCHEMBL4159826 0.76 CCR2 (0.49) KMT2A
SCHEMBL4166940 0.75 ALDH1A1 (0.34) HDAC1HDAC2KMT2AMEN1CES1

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 HDAC1 2/4885HDAC2 7/4885HDAC4 4/4885

“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.