SCHEMBL4887086

SCHEMBL4887086

CC(=O)SCC(=O)c1ccc(OCCNCc2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
GAA P10253 1/20 0.47
HDAC3 O15379 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC9 Q9UKV0 5/20 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
SCHEMBL4885207 0.81 HDAC3 (0.56) MAPTSCN8AHDAC3HDAC4HDAC1
SCHEMBL5316014 0.77 HDAC3 (0.61) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10856250 0.74 KMT2A (0.64) TSHRLMNAMAPK1ALDH1A1MAPT
SCHEMBL2978233 0.72 SCN8A (0.55) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL7097610 0.72 SCN8A (0.58) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL10857113 0.72 ALDH1A1 (0.53) TSHRMAPK1ALDH1A1POLBTP53
SCHEMBL5320248 0.70 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
Acetamide SCHEMBL11092139 0.70 KMT2A (0.51) TSHRLMNAMAPK1ALDH1A1MAPT
SCHEMBL4883748 0.69 HDAC6 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12081120 0.69 TSHR (0.46) TSHRLMNAMAPK1ALDH1A1MAPT

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 TSHR 3237/4885LMNA 1567/4885MAPK1 2847/4885

“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.