SCHEMBL5227048

SCHEMBL5227048

CCOC(=O)c1ccc(N2CCCC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 9/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 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
SCHEMBL5224398 0.98 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6ALDH1A1
Bicarbonate SCHEMBL6203741 0.93 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL63716 0.89 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL64634 0.88 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL64328 0.88 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL3121764 0.87 ALDH1A1 (0.57) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL63685 0.87 KDM4E (0.47) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL19579546 0.87 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL23630400 0.86 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL21273299 0.84 MAPT (0.43) ALDH1A1L3MBTL1LMNAKDM4EGAA

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.