SCHEMBL3534948

SCHEMBL3534948

Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3cc(NC(=O)OCc4cccnc4)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.60
HDAC4 P56524 9/20 0.60
HDAC3 O15379 9/20 0.60
HDAC2 Q92769 9/20 0.60
HDAC7 Q8WUI4 8/20 0.60
HDAC10 Q969S8 8/20 0.60
HDAC11 Q96DB2 8/20 0.60
HDAC8 Q9BY41 8/20 0.60
HDAC6 Q9UBN7 8/20 0.60
HDAC9 Q9UKV0 8/20 0.60
HDAC5 Q9UQL6 8/20 0.60
KDM1A O60341 1/20 0.60
CYP3A4 P08684 1/20 0.60
F3 P13726 1/20 0.60
NCOR2 Q9Y618 1/20 0.60
MEF2D Q14814 1/20 0.51
KCNH2 Q12809 1/20 0.51
NAMPT P43490 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3538636 0.89 HDAC1 (0.58) HDAC1HDAC4HDAC3HDAC2HDAC7
SCHEMBL3540037 0.85 HDAC1 (0.62) HDAC1NAMPTMEN1LMNAMAPT
SCHEMBL3540592 0.83 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL3542333 0.83 HDAC1 (0.55) HDAC1HDAC2MEN1MAPTKMT2A
SCHEMBL3552457 0.83 HDAC1 (0.61) HDAC1HDAC4HDAC3HDAC2HDAC7
SCHEMBL8243120 0.83 HDAC1 (0.78) HDAC1HDAC4HDAC3HDAC2HDAC7
SCHEMBL3534283 0.82 HDAC1 (0.60) HDAC1HDAC4HDAC3HDAC2HDAC7
SCHEMBL3539213 0.82 HDAC1 (0.64) HDAC1HDAC4HDAC3HDAC2HDAC7
SCHEMBL3537745 0.81 HDAC1 (0.59) HDAC1HDAC4HDAC3HDAC2HDAC7
SCHEMBL3534645 0.81 HDAC1 (0.67) HDAC1HDAC4HDAC3HDAC2HDAC7

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 9 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
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP 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
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 1/4885HDAC4 11/4885HDAC3 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.