SCHEMBL2073474

SCHEMBL2073474

CNC(=O)CCCCC[C@H](NC(=O)NCc1ccccc1)c1nnc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.46
HDAC3 O15379 4/20 0.43
HDAC6 Q9UBN7 5/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
TACR1 P25103 1/20 0.37
MAPK14 Q16539 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL5273140 0.79 HDAC1 (0.71) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL17183361 0.79 HDAC1 (0.71) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL5274873 0.78 HDAC1 (0.46) HDAC1HDAC3HDAC6MEN1KMT2A
SCHEMBL5273147 0.78 HDAC1 (0.46) HDAC1HDAC3HDAC6MEN1KMT2A
SCHEMBL2074269 0.78 HDAC1 (0.55) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL17183397 0.76 HDAC1 (0.41) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL2071544 0.76 HDAC1 (0.51) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL17183398 0.76 HDAC1 (0.41) HDAC1HDAC3HDAC6HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL2071844 0.76 HDAC1 (0.66) HDAC1HDAC3HDAC6HDAC4HDAC7
SCHEMBL2071048 0.75 MAPT (0.52) 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-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
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC3 7/4885HDAC6 4/4885

“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.