SCHEMBL5225946

SCHEMBL5225946

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2cccnc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.57
HDAC4 P56524 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
CYP3A4 P08684 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
MKNK1 Q9BUB5 1/20 0.50

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
SCHEMBL5222427 0.89 HDAC1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5227369 0.82 NPC1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6337268 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2828638 0.81 NAMPT (0.61) HDAC1MKNK1MKNK2NAMPTNPC1
SCHEMBL5224230 0.80 NAMPT (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2734683 0.80 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5226033 0.79 HDAC1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6184569 0.79 NPC1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5224586 0.78 NAMPT (0.55) HDAC3HDAC1HDAC2TP53NAMPT
SCHEMBL4080590 0.78 HDAC3 (0.55) 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
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
CN-1662236-A Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC4 5/4885HDAC1 1/4885

“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.