SCHEMBL2034740

SCHEMBL2034740

COc1ccc(Cn2cc(CN3CCCC3)c3ccc(C(=O)ON)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
F2R P25116 5/20 0.47
CACNB4 O00305 4/20 0.46
CACNA1A O00555 4/20 0.46
CACNA1G O43497 4/20 0.46
CACNG3 O60359 4/20 0.46
CACNA1F O60840 4/20 0.46
CACNA1H O95180 4/20 0.46
CACNB3 P54284 4/20 0.46
CACNA2D1 P54289 4/20 0.46
CACNG7 P62955 4/20 0.46
CACNA1B Q00975 4/20 0.46
CACNA1D Q01668 4/20 0.46
CACNB1 Q02641 4/20 0.46

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
SCHEMBL2029308 0.92 TSHR (0.51) HDAC1HDAC2HDAC6SMN1; SMN2TP53
Hydroxyamine SCHEMBL2034741 0.89 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL14325963 0.86 HDAC6 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
Hydroxyamine SCHEMBL2029310 0.82 TSHR (0.52) HDAC1HDAC2HDAC6SMN1; SMN2TP53
SCHEMBL14325953 0.79 HDAC6 (0.59) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL1553987 0.73 PDE4A (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL19730383 0.73 HDAC6 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL1994325 0.73 HDAC6 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL1607759 0.72 HDAC6 (0.54) HDAC1HDAC2HDAC6HDAC3HDAC10
SCHEMBL5591854 0.71 HRH3 (0.65) SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS LLC 2015-02-05 US claimed
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2013-03-28 US claimed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 US claimed
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2011-06-23 US claimed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US claimed
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US disclosed
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS LLC 2015-02-05 US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2013-03-28 US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 US disclosed
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2011-06-23 US disclosed
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2009-08-13 US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 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 (7 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC1 2/4885HDAC2 3/4885HDAC6 10/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC1 5/4885HDAC2 2/4885HDAC6 9/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC1 2/4885HDAC2 3/4885HDAC6 10/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC1 5/4885HDAC2 2/4885HDAC6 9/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC1 3460/4885HDAC2 3643/4885HDAC6 4661/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC1 5/4885HDAC2 2/4885HDAC6 9/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC1 2/4885HDAC2 3/4885HDAC6 10/4885

“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.