SCHEMBL4885900

SCHEMBL4885900

CCN(Cc1ccccc1)Cc1ccc(C(=O)CSC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.50
HDAC6 Q9UBN7 7/20 0.50
HDAC3 O15379 6/20 0.50
HDAC4 P56524 6/20 0.50
HDAC1 Q13547 6/20 0.50
HDAC7 Q8WUI4 6/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC10 Q969S8 6/20 0.50
HDAC11 Q96DB2 6/20 0.50
HDAC9 Q9UKV0 6/20 0.50
HDAC5 Q9UQL6 6/20 0.50
BCHE P06276 3/20 0.50
ACHE P22303 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 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
SCHEMBL4877527 0.82 ACHE (0.46) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4883083 0.81 LMNA (0.62) HDAC8HDAC6BCHEACHEL3MBTL1
SCHEMBL1881517 0.78 HDAC3 (0.62) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL14538249 0.76 PLA2G10 (0.61) HDAC8HDAC6BCHEACHEL3MBTL1
SCHEMBL14087167 0.76 HDAC3 (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4883723 0.75 HDAC3 (0.50) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4886865 0.75 HDAC3 (0.53) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL12763727 0.74 CNR2 (0.67) BCHEACHEL3MBTL1KDM4EALDH1A1
SCHEMBL4876506 0.74 TSHR (0.57) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4883068 0.73 MEN1 (0.60) BCHEACHE

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 HDAC8 5/4885HDAC6 3/4885HDAC3 11/4885

“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.