SCHEMBL2073575

SCHEMBL2073575

CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 1.00
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC8 Q9BY41 16/20 1.00
HDAC6 Q9UBN7 14/20 1.00
CYP2C9 P11712 2/20 1.00
KCNH2 Q12809 1/20 1.00

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
SCHEMBL28772795 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL2072870 0.99 HDAC3 (0.99) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL2074725 0.99 HDAC3 (0.99) HDAC3HDAC1HDAC2HDAC8HDAC6
Cadaverine Tartrate SCHEMBL2073273 0.96 HDAC3 (0.92) HDAC3HDAC1HDAC2HDAC8HDAC6
Cadaverine Tartrate SCHEMBL15517801 0.96 HDAC3 (0.92) HDAC3HDAC1HDAC2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2071962 0.95 HDAC3 (0.91) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24146167 0.94 HDAC1 (0.88) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15707481 0.93 HDAC3 (0.86) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24146168 0.92 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31175457 0.92 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6

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 7 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 claimed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US claimed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 CN 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
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 CN 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 HDAC3 7/4885HDAC1 1/4885HDAC2 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.