SCHEMBL3533816

SCHEMBL3533816

Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.54
HDAC6 Q9UBN7 3/20 0.50
PIK3CA P42336 1/20 0.49
HDAC2 Q92769 3/20 0.46
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
TNF P01375 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43

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 0.84 HDAC1 (0.75) HDAC1HDAC6HDAC2IDO1HDAC3
SCHEMBL3534119 0.79 HDAC1 (0.52) HDAC1HDAC6HDAC2IDO1KDM4E
SCHEMBL3533650 0.75 HDAC1 (0.55) HDAC1HDAC6HDAC2IDO1SMN1; SMN2
SCHEMBL3537778 0.74 HDAC1 (0.56) HDAC1HDAC6HDAC2IDO1HDAC3
SCHEMBL3534949 0.74 HDAC1 (0.54) HDAC1HDAC6HDAC2IDO1TNF
SCHEMBL3531251 0.72 HDAC1 (0.52) HDAC1HDAC6HDAC2IDO1HDAC3
SCHEMBL17165147 0.70 HDAC1 (0.59) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL1065031 0.70 HDAC1 (1.00) HDAC1HDAC6HDAC2SMN1; SMN2HDAC3
SCHEMBL8248760 0.70 HDAC1 (0.67) HDAC1HDAC6HDAC2KDM4ENPC1
SCHEMBL28996363 0.69 CYP11B1 (0.67) HDAC1HDAC6CYP11B1CYP11B2SMN1; SMN2

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 9/4885PIK3CA 2816/4885

“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.