SCHEMBL4884629

SCHEMBL4884629

CC(=O)SCC(=O)c1ccc(CSc2ccnc3c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.39
HDAC3 O15379 10/20 0.39
HDAC4 P56524 10/20 0.39
HDAC1 Q13547 10/20 0.39
HDAC7 Q8WUI4 10/20 0.39
HDAC2 Q92769 10/20 0.39
HDAC10 Q969S8 10/20 0.39
HDAC11 Q96DB2 10/20 0.39
HDAC8 Q9BY41 10/20 0.39
HDAC9 Q9UKV0 10/20 0.39
HDAC5 Q9UQL6 10/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL4881325 0.79 HDAC3 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4883758 0.65 SMN1; SMN2 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2876591 0.64 NCF1 (0.51) ALDH1A1GSK3AGSK3BDYRK3PRKD3
SCHEMBL4880505 0.63 HDAC3 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL16234628 0.63 GSK3A (0.45) GSK3AGSK3BDYRK3PRKD3MAP4K4
SCHEMBL4885795 0.62 HDAC3 (0.47) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL5761189 0.62 L3MBTL1 (0.62) HDAC6KDM4EGSK3AGSK3BDYRK3
SCHEMBL8366944 0.62 NR1H2 (0.51) KDM4EMAPTGSK3AGSK3BDYRK3
SCHEMBL4880410 0.62 LMNA (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1091417 0.61 NCF1 (0.51) KDM4EMAPTGSK3AGSK3BDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 HDAC6 3/4885HDAC3 11/4885HDAC4 8/4885

“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.