SCHEMBL3553873

SCHEMBL3553873

Nc1ccccc1NC(=O)c1ccc(Cn2cc(C(=O)Nc3ccccc3)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC3 O15379 4/20 0.63
NCOR2 Q9Y618 2/20 0.63
KDM1A O60341 1/20 0.61
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NAMPT P43490 2/20 0.53
KLKB1 P03952 1/20 0.53
NCOR1 O75376 1/20 0.52

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
SCHEMBL3546667 0.91 KDM1A (0.63) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL3554477 0.89 ALDH1A1 (0.59) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL3546412 0.89 ALDH1A1 (0.61) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL3546328 0.89 KLKB1 (0.69) HDAC1HDAC2HDAC3KDM1AALDH1A1
SCHEMBL3555395 0.87 HDAC1 (0.60) HDAC1HDAC2HDAC3KDM1AALDH1A1
SCHEMBL3548974 0.86 KLKB1 (0.63) HDAC1HDAC2HDAC3KDM1AALDH1A1
SCHEMBL3550693 0.86 ALDH1A1 (0.56) HDAC1HDAC2HDAC3KDM1AALDH1A1
SCHEMBL3543516 0.86 HDAC1 (0.60) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL3560342 0.86 KDM1A (0.62) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL3554488 0.85 HDAC1 (0.64) HDAC1HDAC2HDAC3KDM1AALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904452-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-04-02 EP claimed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO claimed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US claimed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
EP-1904452-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-04-02 EP disclosed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO disclosed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 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 (3 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-20070015809-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 4/4885HDAC3 2/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 4/4885HDAC3 2/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 4/4885HDAC3 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.