SCHEMBL3555971

SCHEMBL3555971

Cc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.61
PTGS1 P23219 2/20 0.55
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.50

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
SCHEMBL3557646 0.93 HDAC1 (0.61) HDAC1PTGS1MEN1MAPK1KMT2A
SCHEMBL3548329 0.91 HDAC1 (0.63) HDAC1PTGS1
SCHEMBL3552262 0.89 HDAC1 (0.58) HDAC1MEN1MAPK1KMT2A
SCHEMBL3552203 0.89 HDAC1 (0.54) HDAC1MEN1MAPK1KMT2A
SCHEMBL3556393 0.87 HDAC1 (0.51) HDAC1MEN1MAPK1KMT2A
SCHEMBL3554998 0.87 MEN1 (0.58) HDAC1MEN1MAPK1KMT2A
SCHEMBL3551533 0.86 HDAC1 (0.62) HDAC1MEN1MAPK1KMT2A
SCHEMBL3555022 0.85 HDAC1 (0.61) HDAC1PTGS1MEN1MAPK1KMT2A
SCHEMBL3551914 0.83 HDAC1 (0.61) HDAC1PTGS1MEN1MAPK1KMT2A
SCHEMBL3548819 0.83 HDAC1 (0.63) HDAC1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US claimed
CN-101263121-A Histone deacetylase inhibitors TAKEDA SAN DIEGO INC (US) 2008-09-10 CN 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-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-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20090105485-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-23 US disclosed
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-15 US disclosed
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-15 US disclosed
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-15 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
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 (5 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 1/4885PTGS1 3189/4885MEN1 3781/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885PTGS1 3189/4885MEN1 3781/4885
US-20090105485-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885PTGS1 3189/4885MEN1 3781/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885PTGS1 3189/4885MEN1 3781/4885
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 HDAC1 1/4885PTGS1 3189/4885MEN1 3781/4885

“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.