SCHEMBL2369028

SCHEMBL2369028

CCC(=O)CCCCCC(C)(OC(=O)C(F)(F)F)c1ncc(-c2ccc3ccccc3c2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.46
HDAC3 O15379 9/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
S1PR1 P21453 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 SCHEMBL4710661 0.85 HDAC1 (0.48) HDAC1HDAC3HDAC6HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL2369022 0.85 HDAC1 (0.48) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL2368392 0.78 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL15512801 0.74 HDAC1 (0.57) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL2071137 0.74 HDAC1 (0.36) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL5277764 0.74 HDAC1 (0.36) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL5274853 0.74 HDAC1 (0.66) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL2071983 0.74 HDAC1 (0.66) HDAC1HDAC3HDAC6HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL2368389 0.74 HDAC1 (0.59) HDAC1HDAC3HDAC6HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL2368587 0.73 HDAC1 (0.57) HDAC1HDAC3HDAC6HDAC4HDAC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026265-B2 Heterocycle substituted ketone derivatives as histone deacetylase (HDAC) inhibitors Istituto de Ricerche di Biologia Molecolare P. Angeletti SpA. (IT) 2011-09-27 US disclosed
US-20100234374-A1 Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2010-09-16 US disclosed
EP-1976834-A2 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-08 EP disclosed
WO-2007072080-A2 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-06-28 WO 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-20100234374-A1 Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC7, HDAC4 HDAC1 1/4885HDAC3 8/4885HDAC6 10/4885

“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.