SCHEMBL4456921

SCHEMBL4456921

Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCC2=Cc3ccccc3S2(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC3 O15379 6/20 0.46
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
KDM1A O60341 1/20 0.42
CYP3A4 P08684 1/20 0.42
F3 P13726 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NAMPT P43490 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL4456923 0.92 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12291260 0.85 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5134770 0.82 LMNA (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2440724 0.82 HDAC1 (0.38) HDAC1HDAC2HDAC3NCOR2
SCHEMBL4461210 0.80 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12291185 0.79 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12291262 0.79 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12291257 0.78 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4453120 0.78 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2440725 0.76 HDAC1 (0.38) HDAC1HDAC2HDAC3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP claimed
EP-1945617-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS Merck & Co., Inc. (US) 2008-07-23 EP claimed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 WO claimed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 5/4885HDAC3 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.