SCHEMBL2072937

SCHEMBL2072937

CCC(=O)CCCCC[C@H](N)c1nnc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.48
HDAC3 O15379 10/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HDAC8 Q9BY41 6/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL2074269 0.84 HDAC1 (0.55) HDAC1HDAC3HDAC6HDAC8HDAC2
Trifluoroacetic Acid SCHEMBL2070809 0.83 TBXAS1 (0.40) HDAC1HDAC6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2070811 0.83 CA1 (0.37) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL2070988 0.79 HDAC1 (0.76) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL15512759 0.79 HDAC1 (0.76) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL15563774 0.78 HDAC3 (0.62) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL15563769 0.78 HDAC3 (0.62) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL2074404 0.77 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL15518352 0.77 HDAC1 (0.67) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL2070989 0.77 HDAC1 (0.68) HDAC1HDAC3HDAC6HDAC8HDAC2

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 1/4885HDAC3 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.