SCHEMBL5226816

SCHEMBL5226816

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)O)C(C(C)(C)C)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC1 Q13547 2/20 0.37
ACKR3 P25106 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
DRD2 P14416 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
METAP1 P53582 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27601734 0.86 HDAC3 (0.43) HDAC3HDAC2ACKR3MEN1KMT2A
SCHEMBL5223801 0.82 MAPT (0.45) HDAC3HDAC2MEN1KMT2AKDM4E
SCHEMBL5225270 0.81 NPSR1 (0.46) HDAC3HDAC2MEN1KMT2AKDM4E
SCHEMBL5226822 0.81 MAPK8 (0.46) HDAC3HDAC2HDAC1ACKR3
SCHEMBL5222720 0.80 HDAC1 (0.48) HDAC3HDAC2HDAC1
SCHEMBL5228683 0.78 HDAC1 (0.47) HDAC3HDAC2HDAC1MEN1KMT2A
SCHEMBL20163022 0.74 HDAC2 (0.52) HDAC3HDAC2HDAC1ACKR3MAPT
SCHEMBL3786249 0.74 SMN1; SMN2 (0.45) MEN1KMT2ALMNAMAPTBRD9
SCHEMBL6202001 0.72 HDAC2 (0.54) HDAC3HDAC2HDAC1
SCHEMBL2733475 0.71 SMN1; SMN2 (0.42) MEN1KMT2ALMNAMAPTBRD9

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 HDAC3 2/4885HDAC2 4/4885HDAC1 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.