SCHEMBL2622707

SCHEMBL2622707

Cn1cc(C2CCCN(CC3CCN(c4ncc(C(=O)NO)cn4)CC3)C2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.63
▸ HDAC1 Q13547 11/20 0.63
▸ HDAC3 O15379 8/20 0.63
▸ HDAC2 Q92769 8/20 0.63
▸ HDAC8 Q9BY41 8/20 0.63
▸ HDAC10 Q969S8 5/20 0.63
▸ HDAC4 P56524 4/20 0.63
▸ HDAC7 Q8WUI4 4/20 0.63
▸ HDAC11 Q96DB2 4/20 0.63
▸ HDAC9 Q9UKV0 4/20 0.63
▸ HDAC5 Q9UQL6 4/20 0.63
▸ NCOR2 Q9Y618 3/20 0.63
▸ PIK3CD O00329 1/20 0.63
▸ PIK3CA P42336 1/20 0.63
▸ PIK3CB P42338 1/20 0.63
▸ KDM1A O60341 5/20 0.41

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
SCHEMBL2622709 0.95 HDAC6 (0.65) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2622718 0.91 HDAC3 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL16472196 0.88 HDAC3 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2622720 0.87 HDAC3 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2622716 0.85 HDAC3 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13037099 0.85 HDAC1 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2622725 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2622714 0.82 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2622711 0.82 HDAC3 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL23055123 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 — — US disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 — — US disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 — — US disclosed
US-8163765-B2 Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 — — US disclosed
US-8163765-B2 Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 — — US disclosed
US-20110118291-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-19 — — US disclosed
US-20110118291-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-19 — — US disclosed
US-7834025-B2 Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 — — US disclosed
US-7834025-B2 Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-16 — — US disclosed
US-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 — — US disclosed
US-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-15 — — 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC3 1/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC3 1/4885
US-20090018153-A1 Substituted Indolyl-Alkyl-Amino-Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC3, HDAC2 HDAC6 12/4885HDAC1 1/4885HDAC3 2/4885
US-20110118291-A1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC6 12/4885HDAC1 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.

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