SCHEMBL2070516

SCHEMBL2070516

COc1cccc(-c2cnc([C@H](CCCCCC(=O)OC(=O)C(F)(F)F)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.66
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC4 P56524 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPT P10636 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL2070513 0.91 HDAC1 (0.70) HDAC1ALDH1A1HDAC3HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL2071012 0.90 HDAC1 (0.78) HDAC1ALDH1A1HDAC3HDAC2HDAC6
SCHEMBL15512715 0.89 HDAC1 (0.75) HDAC1ALDH1A1HDAC3HDAC2HDAC6
SCHEMBL15512493 0.89 HDAC1 (0.83) HDAC1ALDH1A1HDAC3HDAC2HDAC6
SCHEMBL15512714 0.89 HDAC1 (0.75) HDAC1ALDH1A1HDAC3HDAC2HDAC6
SCHEMBL15512494 0.89 HDAC1 (0.83) HDAC1ALDH1A1HDAC3HDAC2HDAC6
SCHEMBL2074755 0.84 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC6HDAC4
Trifluoroacetic Acid SCHEMBL2072072 0.82 HDAC1 (0.91) HDAC1HDAC3HDAC2HDAC6HDAC4
Trifluoroacetic Acid SCHEMBL2074219 0.80 HDAC1 (0.80) HDAC1
SCHEMBL15512954 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC6HDAC4

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
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885ALDH1A1 422/4885HDAC3 7/4885

“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.