SCHEMBL2686366

SCHEMBL2686366

CN1CCN(Cc2ccccc2C(=O)C=Cc2cccc(C=CC(=O)O)c2)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.79
HDAC4 P56524 11/20 0.79
HDAC1 Q13547 11/20 0.79
HDAC7 Q8WUI4 11/20 0.79
HDAC2 Q92769 11/20 0.79
HDAC10 Q969S8 11/20 0.79
HDAC11 Q96DB2 11/20 0.79
HDAC8 Q9BY41 11/20 0.79
HDAC6 Q9UBN7 11/20 0.79
HDAC9 Q9UKV0 11/20 0.79
HDAC5 Q9UQL6 11/20 0.79
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.44
PIM2 Q9P1W9 2/20 0.44
HTR7 P34969 1/20 0.44
PIM1 P11309 1/20 0.43

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
SCHEMBL2686362 1.00 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4342597 0.92 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30383434 0.92 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4342602 0.92 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1482147 0.91 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1482150 0.91 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31233012 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5915791 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5915577 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5915573 0.89 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP disclosed
EP-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 EP disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 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 (2 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 HDAC3 1/4885HDAC4 13/4885HDAC1 3/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC3 1/4885HDAC4 13/4885HDAC1 2/4885

“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.