SCHEMBL12592142

SCHEMBL12592142

CCCN(C)Cc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 9/20 0.71
▸ HDAC6 Q9UBN7 8/20 0.71
▸ HDAC1 Q13547 12/20 0.59
▸ HDAC8 Q9BY41 9/20 0.59
▸ HDAC2 Q92769 8/20 0.59
▸ HDAC4 P56524 5/20 0.59
▸ HDAC10 Q969S8 4/20 0.59
▸ HDAC5 Q9UQL6 4/20 0.59
▸ KCNH2 Q12809 2/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ HDAC7 Q8WUI4 3/20 0.50
▸ HDAC11 Q96DB2 3/20 0.50
▸ HDAC9 Q9UKV0 3/20 0.50
▸ MEF2D Q14814 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49

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
SCHEMBL23054865 0.88 HDAC3 (0.75) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL12150981 0.83 HDAC6 (1.00) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL13949775 0.82 HDAC3 (0.65) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL24294041 0.82 HDAC3 (0.69) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL17483934 0.80 HDAC6 (0.65) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL8256427 0.78 HDAC3 (0.68) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL22483000 0.77 HDAC6 (0.55) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL12126798 0.77 KDM4E (0.41) HDAC3HDAC6MAOAMAOB
SCHEMBL17483891 0.77 HDAC1 (0.71) HDAC3HDAC6HDAC1HDAC8HDAC2
SCHEMBL16806926 0.76 HDAC6 (0.54) HDAC3HDAC6HDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124701-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF LYMPHOMAS NOVARTIS AG (CH) 2011-05-26 — — US disclosed
US-20110118309-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF HODGKIN'S DISEASE ATADJA PETER WISDOM 2011-05-19 — — US disclosed
US-20110034531-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF MELANOMA NOVARTIS AG (CH) 2011-02-10 — — US 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 (3 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-20110118309-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF HODGKIN'S DISEASE HDAC1, HDAC5, HDAC4 HDAC3 8/4885HDAC6 10/4885HDAC1 1/4885
US-20110124701-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF LYMPHOMAS HDAC5, HDAC1, HDAC4 HDAC3 10/4885HDAC6 11/4885HDAC1 2/4885
US-20110034531-A1 USE OF HDAC INHIBITORS FOR THE TREATMENT OF MELANOMA HDAC5, HDAC1, HDAC9 HDAC3 6/4885HDAC6 9/4885HDAC1 2/4885

“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.

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