SCHEMBL9883548

SCHEMBL9883548

Cn1cc(CNCC2CCN(c3ncc(C(=O)NOC4CCCCO4)cn3)CC2)c2cccc(F)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.54
▸ HDAC1 Q13547 7/20 0.54
▸ HDAC3 O15379 5/20 0.54
▸ HDAC2 Q92769 5/20 0.54
▸ NCOR2 Q9Y618 4/20 0.54
▸ HDAC8 Q9BY41 3/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ ADORA2A P29274 1/20 0.40
▸ P2RX3 P56373 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ KDM1A O60341 6/20 0.36
▸ DNMT1 P26358 1/20 0.34

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
SCHEMBL9883561 0.92 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL9883564 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL8147123 0.88 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL8271881 0.86 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL8272512 0.84 HDAC6 (0.75) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL9883573 0.84 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL8271883 0.84 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL9883562 0.84 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL9883560 0.84 HDAC1 (0.57) HDAC6HDAC1HDAC3HDAC2NCOR2
SCHEMBL9883576 0.84 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC2NCOR2

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-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 — — US disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 — — US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 — — US disclosed
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2014-10-16 — — US disclosed
US-8524728-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-03 — — US disclosed
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE (BE) 2012-08-30 — — US disclosed
US-8193205-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 — — US disclosed
US-8193205-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 — — US disclosed
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE 2011-06-09 — — US disclosed
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 — — US disclosed
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 — — 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-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC6 12/4885HDAC1 1/4885HDAC3 2/4885
US-20140309248-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC6 13/4885HDAC1 1/4885HDAC3 2/4885
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC6 12/4885HDAC1 1/4885HDAC3 2/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 HDAC6 12/4885HDAC1 1/4885HDAC3 2/4885
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL 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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