SCHEMBL5222720

SCHEMBL5222720

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cnc(N2CCN(C(=O)O)C(C(C)(C)C)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.48
SLC6A7 Q99884 1/20 0.40
HDAC3 O15379 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CHRM4 P08173 3/20 0.39
PTPN11 Q06124 1/20 0.39
KIT P10721 1/20 0.38
GRIN2B Q13224 1/20 0.38
DGAT2 Q96PD7 1/20 0.37

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
SCHEMBL5228683 0.84 HDAC1 (0.47) HDAC1HDAC3CYP2C9SLC6A4SLC6A3
SCHEMBL5222728 0.81 PTPN11 (0.56) HDAC1PTPN11
SCHEMBL5226816 0.80 HDAC3 (0.38) HDAC1HDAC3HDAC2
SCHEMBL15924166 0.75 HDAC3 (0.49) HDAC1HDAC3HDAC2
SCHEMBL22519008 0.73 CHRM1 (0.46) SLC6A7CHRM4
SCHEMBL5229928 0.72 NAMPT (0.43) HDAC1
SCHEMBL25383375 0.72 SLC6A7 (0.45) SLC6A7CHRM4
SCHEMBL3548310 0.72 SLC6A7 (0.39) SLC6A7CHRM4PTPN11KITDGAT2
Methane SCHEMBL27601733 0.72 MDM4 (0.46) HDAC1
SCHEMBL27601739 0.71 SMN1; SMN2 (0.47) HDAC1HDAC3HDAC2PTPN11

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-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
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 HDAC1 1/4885SLC6A7 2530/4885HDAC3 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.