SCHEMBL4895649

SCHEMBL4895649

C=C(Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.56
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RCE1 Q9Y256 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 5/20 0.50
HDAC2 Q92769 5/20 0.50
MAPK1 P28482 1/20 0.50
NCOR2 Q9Y618 1/20 0.49
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47

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
SCHEMBL5161728 0.90 HDAC1 (0.58) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL5165061 0.79 HDAC1 (0.53) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL5159387 0.75 ALDH1A1 (0.56) HDAC1ALDH1A1HDAC3HDAC2MAPK1
SCHEMBL4896072 0.74 HDAC1 (0.68) HDAC1ALDH1A1HDAC3HDAC2MAPK1
SCHEMBL8401704 0.74 HDAC1 (0.89) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL14066526 0.73 HDAC1 (0.71) HDAC1ALDH1A1HPGDHDAC3HDAC2
SCHEMBL4897800 0.72 HDAC1 (0.57) HDAC1HTTL3MBTL1HDAC3HDAC2
SCHEMBL4898000 0.72 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL5161732 0.72 HDAC1 (0.55) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL1064696 0.72 HDAC1 (1.00) HDAC1ALDH1A1POLBHDAC3HDAC2

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 HDAC1 4/4885ALDH1A1 1078/4885POLB 1108/4885

“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.