SCHEMBL4883758

SCHEMBL4883758

CC(=O)SCC(=O)c1ccc(CSc2cnc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 4/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
RXFP1 Q9HBX9 3/20 0.43
HTT P42858 2/20 0.43
HDAC3 O15379 8/20 0.42
HDAC4 P56524 8/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC7 Q8WUI4 8/20 0.42
HDAC2 Q92769 8/20 0.42
HDAC10 Q969S8 8/20 0.42

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
SCHEMBL5191625 0.70 KDM4E (1.00) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL4886865 0.69 HDAC3 (0.53) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL1881517 0.69 HDAC3 (0.62) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL6397516 0.69 PDE10A (0.53) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL5717746 0.69 KDM4E (0.74) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL4885795 0.67 HDAC3 (0.47) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL4880410 0.67 LMNA (0.53) ALDH1A1RAB9ALMNAMAPTHPGD
SCHEMBL4880505 0.66 HDAC3 (0.59) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL14355829 0.65 HPGD (0.64) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT
SCHEMBL4881369 0.65 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1RAB9ALMNAMAPT

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 SMN1; SMN2 1072/4885ALDH1A1 1024/4885RAB9A 2267/4885

“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.