SCHEMBL3536709

SCHEMBL3536709

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc32)s1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.54
HDAC3 O15379 3/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOR1 O75376 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3537871 0.89 MPO (0.46) HDAC1HDAC11HDAC8HDAC6LMNA
SCHEMBL3543942 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3543646 0.86 HDAC1 (0.51) HDAC1HDAC3HDAC11HDAC8HDAC6
SCHEMBL23997215 0.82 CYP1A2 (0.48) HDAC1HDAC11HDAC8HDAC6LMNA
SCHEMBL31711490 0.82 CYP1A2 (0.48) HDAC1HDAC11HDAC8HDAC6LMNA
SCHEMBL3534490 0.80 HDAC1 (0.57) HDAC1HDAC11HDAC8HDAC6LMNA
SCHEMBL3537118 0.80 HDAC1 (0.78) HDAC1HDAC3HDAC11HDAC8HDAC6
SCHEMBL30457334 0.79 LIPG (0.48) HDAC1HDAC11HDAC8HDAC6LMNA
SCHEMBL23997280 0.79 LIPG (0.48) HDAC1HDAC11HDAC8HDAC6LMNA
SCHEMBL8264169 0.77 HDAC1 (0.41) HDAC1HDAC3HDAC11HDAC8HDAC6

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-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US claimed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 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-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC3 2/4885HDAC11 6/4885

“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.