SCHEMBL3558592

SCHEMBL3558592

Cc1cnn(Cc2ccc(C(=O)Nc3cc(F)ccc3N)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
HDAC1 Q13547 7/20 0.54
HDAC2 Q92769 7/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
KLKB1 P03952 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49

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
SCHEMBL3554578 0.87 HDAC1 (0.47) ALDH1A1POLBHDAC1HDAC2LMNA
SCHEMBL3555192 0.85 ALDH1A1 (0.61) ALDH1A1POLBHDAC1HDAC2LMNA
SCHEMBL4827255 0.83 ALDH1A1 (0.55) ALDH1A1POLBHDAC1HDAC2LMNA
SCHEMBL3556580 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3549681 0.81 HDAC2 (0.59) ALDH1A1POLBHDAC1HDAC2LMNA
SCHEMBL3550018 0.81 HDAC1 (0.58) ALDH1A1HDAC1HDAC2LMNASMN1; SMN2
SCHEMBL3556931 0.78 HDAC2 (0.58) ALDH1A1HDAC1HDAC2SMN1; SMN2RAB9A
SCHEMBL3554431 0.76 HDAC2 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3554477 0.72 ALDH1A1 (0.59) ALDH1A1POLBHDAC1HDAC2SMN1; SMN2
SCHEMBL3546667 0.72 KDM1A (0.63) ALDH1A1HDAC1HDAC2SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 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
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 (4 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 ALDH1A1 754/4885POLB 337/4885HDAC1 1/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 ALDH1A1 754/4885POLB 337/4885HDAC1 1/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 ALDH1A1 754/4885POLB 337/4885HDAC1 1/4885
US-20080114037-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 ALDH1A1 754/4885POLB 337/4885HDAC1 1/4885

“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.