SCHEMBL6900439

SCHEMBL6900439

Cc1[nH]c2ccccc2c1C1CCCN1Cc1ccc(/C=C/C(=O)NO)cc1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.64
KCNH2 Q12809 14/20 0.64
HDAC3 O15379 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC4 P56524 2/20 0.64

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
SCHEMBL2732695 0.86 HDAC1 (0.74) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL2732693 0.86 HDAC1 (0.74) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL31192 0.86 HDAC1 (0.74) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL6898993 0.84 HDAC1 (0.77) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL725030 0.78 HDAC1 (0.91) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL1486885 0.78 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL6866262 0.78 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL1486883 0.78 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL1486881 0.78 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC2HDAC8
SCHEMBL725029 0.78 HDAC1 (0.91) HDAC1KCNH2HDAC3HDAC2HDAC8

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-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC3 3/4885

“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.