SCHEMBL13039729

SCHEMBL13039729

O=C(CCCCNC(=O)c1ccc(Cl)cc1)NO

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.97
HDAC1 Q13547 14/20 0.97
HDAC3 O15379 11/20 0.97
HDAC2 Q92769 11/20 0.97
HDAC4 P56524 9/20 0.97
HDAC7 Q8WUI4 9/20 0.97
HDAC10 Q969S8 9/20 0.97
HDAC11 Q96DB2 9/20 0.97
HDAC8 Q9BY41 9/20 0.97
HDAC9 Q9UKV0 9/20 0.97
HDAC5 Q9UQL6 9/20 0.97
LTA4H P09960 1/20 0.66

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
SCHEMBL13039735 0.98 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL6386307 0.96 HDAC1 (0.89) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL6384647 0.94 HDAC1 (0.92) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL6386067 0.94 HDAC1 (0.92) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL7741148 0.91 HDAC1 (0.81) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL7734655 0.88 HDAC1 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL7734658 0.88 HDAC1 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL9491749 0.85 HDAC3 (0.76) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1232986 0.84 HDAC1 (0.79) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL6387379 0.84 HDAC1 (0.71) HDAC6HDAC1HDAC3HDAC2HDAC4

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-20100278782-A1 DIFFERENTIATION OF RAT LIVER EPITHELIAL CELLS INTO HEPATOCYTE-LIKE CELLS VRIJE UNIVERSITEIT BRUSSEL (BE) 2010-11-04 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-20100278782-A1 DIFFERENTIATION OF RAT LIVER EPITHELIAL CELLS INTO HEPATOCYTE-LIKE CELLS MYADM, GLS2, HNF4A HDAC6 4344/4885HDAC1 4216/4885HDAC3 2847/4885

“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.