SCHEMBL1486935

SCHEMBL1486935

COC(=O)/C=C/c1ccc(CN2CCCC(c3c(C(C)(C)O)[nH]c4ccccc34)C2)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.76
KCNH2 Q12809 10/20 0.76
HDAC3 O15379 2/20 0.76
HDAC4 P56524 2/20 0.76
HDAC2 Q92769 2/20 0.76
HDAC8 Q9BY41 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAOA P21397 2/20 0.37
ACHE P22303 2/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL1486937 1.00 HDAC1 (0.76) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL725029 0.91 HDAC1 (0.91) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL725030 0.91 HDAC1 (0.91) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL1486897 0.89 HDAC1 (0.64) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL1486896 0.89 HDAC1 (0.64) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL6866262 0.86 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL1486883 0.86 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL1486885 0.86 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL1486881 0.86 HDAC1 (1.00) HDAC1KCNH2HDAC3HDAC4HDAC2
SCHEMBL1486959 0.83 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC2

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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3415/4885HDAC3 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.