SCHEMBL3534119

SCHEMBL3534119

Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.52
HDAC6 Q9UBN7 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
TNF P01375 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3539977 0.79 HDAC1 (0.75) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3533816 0.79 HDAC1 (0.54) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3556616 0.77 HDAC1 (0.42) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3549214 0.77 HDAC2 (0.49) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3534949 0.76 HDAC1 (0.54) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL6075959 0.75 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3533650 0.75 HDAC1 (0.55) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3534490 0.74 HDAC1 (0.57) HDAC1HDAC6HDAC11HDAC8NPC1
SCHEMBL3537778 0.74 HDAC1 (0.56) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3531251 0.74 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC3HDAC4

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-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
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 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-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC6 9/4885HDAC2 4/4885

“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.