SCHEMBL4894790

SCHEMBL4894790

C=C(CN1CCOCC1)c1ccc(CCCC(=O)Nc2ccccc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.54
HDAC1 Q13547 10/20 0.54
HDAC2 Q92769 6/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
NCOR1 O75376 1/20 0.50
KDM1A O60341 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PIK3CA P42336 2/20 0.46

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
SCHEMBL5159110 0.94 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL4896016 0.88 ALDH1A1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL4896072 0.83 HDAC1 (0.68) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL5178132 0.81 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL5162585 0.80 LMNA (0.48) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL8268262 0.77 ABCB1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL13783984 0.77 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL5161676 0.74 LMNA (0.50) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL7937142 0.74 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL4891951 0.73 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 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-20080234254-A1 Inhibitors of Histone Deacetylase HDAC8, HDAC4, HDAC5 HDAC3 5/4885HDAC1 4/4885HDAC2 7/4885

“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.