SCHEMBL13538751

SCHEMBL13538751

CCOC(=O)c1cnc(N2CCO[C@H](CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LMNA P02545 6/20 0.43
P2RY12 Q9H244 3/20 0.43
MAPT P10636 1/20 0.43
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 4/20 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
SCHEMBL13538778 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13538782 0.90 P2RY12 (0.47) LMNAP2RY12MAPTSLC12A2SLC12A5
SCHEMBL13538773 0.89 HDAC6 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13538784 0.89 LMNA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12933255 0.86 HDAC6 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12933253 0.86 HDAC6 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13538787 0.85 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13538776 0.80 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13538785 0.79 LMNA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12933256 0.78 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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-8501737-B2 Piperazinyl-, piperidinyl- and morpholinyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-06 US disclosed
US-8501737-B2 Piperazinyl-, piperidinyl- and morpholinyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-06 US disclosed
US-20100009988-A1 PIPERAZINYL-, PIPERIDINYL- AND MORPHOLINYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN 2010-01-14 US disclosed
US-20100009988-A1 PIPERAZINYL-, PIPERIDINYL- AND MORPHOLINYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN 2010-01-14 US disclosed
US-7592450-B2 used to inhibit proliferative conditions, such as cancer and psoriasis, with improved bioavailability and stability JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-22 US disclosed
US-7592450-B2 used to inhibit proliferative conditions, such as cancer and psoriasis, with improved bioavailability and stability JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-22 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 (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-20100009988-A1 PIPERAZINYL-, PIPERIDINYL- AND MORPHOLINYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC5 HDAC3 4/4885HDAC4 11/4885HDAC1 1/4885

“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.