SCHEMBL4457846

SCHEMBL4457846

CC(C)(C)OC(=O)Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.48
NAMPT P43490 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ADORA3 P0DMS8 5/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL8235738 0.89 KDM4E (0.43) HDAC1NAMPTADORA3KDM4ELMNA
SCHEMBL2438296 0.86 HDAC1 (0.46) HDAC1NAMPTADORA3KDM4ELMNA
SCHEMBL8168949 0.81 DGAT1 (0.48) KMT2AADORA3KDM4ELMNAMAPT
SCHEMBL2436288 0.80 HDAC1 (0.49) HDAC1NAMPTADORA3KDM4EHDAC10
SCHEMBL2436833 0.80 ADORA3 (0.39) HDAC1NAMPTADORA3KDM4ELMNA
SCHEMBL4453120 0.79 HDAC1 (0.52) HDAC1KMT2AMEN1ADORA3HDAC10
SCHEMBL3648233 0.78 HDAC1 (0.54) HDAC1NAMPTADORA3HDAC6
SCHEMBL12291095 0.78 CNR2 (0.44) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL3646356 0.77 NAMPT (0.48) HDAC1NAMPTKMT2AMEN1HDAC10
SCHEMBL6963566 0.76 BRD9 (0.48) KMT2AMEN1KDM4ELMNAMAPT

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 2 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 disclosed
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 1/4885NAMPT 578/4885KMT2A 84/4885

“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.