SCHEMBL4457324

SCHEMBL4457324

CC(C)(C)OC(=O)NCc1ccc(COC(=O)NCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
NR1H4 Q96RI1 3/20 0.51
EPHX2 P34913 2/20 0.51
HDAC1 Q13547 3/20 0.50
NAMPT P43490 3/20 0.50
SYK P43405 1/20 0.50
MEN1 O00255 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
PLAU P00749 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NTSR1 P30989 1/20 0.47
PRSS1 P07477 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 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
SCHEMBL133327 0.92 KMT2A (0.60) KMT2ANR1H4EPHX2HDAC1NAMPT
SCHEMBL14485285 0.89 SYK (0.62) KMT2AHDAC1NAMPTSYKMEN1
SCHEMBL23959162 0.87 HDAC1 (0.61) KMT2ANR1H4EPHX2HDAC1NAMPT
SCHEMBL8983815 0.85 KMT2A (0.50) KMT2ASYKMEN1GAA
SCHEMBL991841 0.84 HDAC1 (0.64) KMT2ANR1H4EPHX2HDAC1NAMPT
SCHEMBL6288470 0.84 SYK (0.57) KMT2AHDAC1NAMPTSYKMEN1
SCHEMBL7428120 0.84 HDAC1 (0.56) KMT2AHDAC1NAMPTSYKMEN1
SCHEMBL3013545 0.84 KMT2A (0.51) KMT2ANR1H4EPHX2HDAC1NAMPT
SCHEMBL7289218 0.84 HDAC1 (0.56) KMT2AHDAC1NAMPTSYKMEN1
SCHEMBL24890651 0.84 KDM1A (0.52) NR1H4EPHX2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 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-20090156825-A1 Fluorescent compounds that bind to histone deacetylase HDAC1, HDAC3, HDAC11 KMT2A 145/4885NR1H4 1001/4885EPHX2 4556/4885

“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.