SCHEMBL3551401

SCHEMBL3551401

CN1CCN(CCCNC(=O)c2cnn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.51
HDAC3 O15379 3/20 0.51
KDM1A O60341 3/20 0.51
HDAC2 Q92769 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR1 O75376 1/20 0.47
NAMPT P43490 1/20 0.47
KCNH2 Q12809 2/20 0.47
GAA P10253 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
SCHEMBL3557708 0.91 POLB (0.55) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3548885 0.87 HDAC1 (0.55) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3555719 0.86 KDM1A (0.54) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3546995 0.85 HDAC1 (0.56) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3552556 0.85 KDM1A (0.51) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3549970 0.85 KDM1A (0.52) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3551284 0.85 KDM1A (0.55) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3551831 0.84 KDM1A (0.51) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3550693 0.84 ALDH1A1 (0.56) HDAC1HDAC3KDM1AHDAC2ALDH1A1
SCHEMBL3546864 0.83 KDM1A (0.54) HDAC1HDAC3KDM1AHDAC2ALDH1A1

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 1/4885HDAC3 2/4885KDM1A 68/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC3 2/4885KDM1A 68/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC3 2/4885KDM1A 68/4885

“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.