SCHEMBL3546328

SCHEMBL3546328

Nc1ccccc1NC(=O)c1ccc(Cn2cc(C(=O)NCc3ccccc3)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.69
HDAC1 Q13547 12/20 0.64
HDAC3 O15379 5/20 0.64
HDAC2 Q92769 4/20 0.64
NCOR1 O75376 1/20 0.64
NAMPT P43490 1/20 0.64
KDM1A O60341 1/20 0.61
HDAC6 Q9UBN7 3/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
KLK1 P06870 1/20 0.57
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3548615 0.93 HDAC1 (0.63) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3552216 0.91 HDAC1 (0.77) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3555395 0.89 HDAC1 (0.60) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3553873 0.89 HDAC1 (0.63) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3546667 0.88 KDM1A (0.63) HDAC1HDAC3HDAC2NCOR1NAMPT
SCHEMBL3550693 0.88 ALDH1A1 (0.56) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3555071 0.88 HDAC1 (0.57) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3551284 0.87 KDM1A (0.55) KLKB1HDAC1HDAC3HDAC2NCOR1
SCHEMBL3554477 0.86 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR1NAMPT
SCHEMBL3546412 0.86 ALDH1A1 (0.61) KLKB1HDAC1HDAC3HDAC2NCOR1

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 KLKB1 1982/4885HDAC1 1/4885HDAC3 2/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 KLKB1 1982/4885HDAC1 1/4885HDAC3 2/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 KLKB1 1982/4885HDAC1 1/4885HDAC3 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.