SCHEMBL1993367

SCHEMBL1993367

Cn1cc(Cc2ccc(N)cc2)c2cc(C(=O)NO)ccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 13/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
CPT1A P50416 2/20 0.45
CPT1B Q92523 2/20 0.45
HDAC3 O15379 1/20 0.44
SNCA P37840 1/20 0.43
CPT2 P23786 1/20 0.43

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
SCHEMBL1992307 0.88 HASPIN (0.56) HASPINHDAC1HDAC6HDAC8CPT1A
SCHEMBL4249517 0.87 HASPIN (0.39) HASPINCPT1ACPT1BSNCACPT2
SCHEMBL5452722 0.86 CPT1A (0.45) HASPINCPT1ACPT1BSNCACPT2
SCHEMBL1992602 0.84 CDK2 (0.44) HASPINHDAC1HDAC6HDAC8CPT1A
SCHEMBL1994556 0.82 HASPIN (0.61) HASPINHDAC1HDAC6HDAC8CPT1A
SCHEMBL15020007 0.78 HASPIN (0.57) HASPINHDAC1HDAC6HDAC8HDAC3
SCHEMBL1993104 0.75 HDAC6 (0.53) HASPINHDAC1HDAC6HDAC8HDAC3
SCHEMBL4255197 0.75 HASPIN (0.47) HASPINHDAC1HDAC6HDAC8CPT1A
SCHEMBL4254269 0.74 HASPIN (0.56) HASPINHDAC1HDAC6HDAC8CPT1A
SCHEMBL5458138 0.74 HASPIN (0.51) HASPINCPT1ACPT1BSNCACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US claimed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US claimed
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-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2011-06-23 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-7820711-B2 Uses of selective inhibitors of HDAC8 for treatment of T-cell proliferative disorders PHARMACYCLICS INC. (US) 2010-10-26 US disclosed
WO-2008061160-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2008-05-22 WO disclosed
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders PHARMACYCLICS, INC. (US) 2008-05-15 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 HASPIN 403/4885HDAC1 2/4885HDAC6 10/4885
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders HDAC8, HDAC5, HDAC7 HASPIN 619/4885HDAC1 4/4885HDAC6 12/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HASPIN 174/4885HDAC1 5/4885HDAC6 9/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HASPIN 403/4885HDAC1 2/4885HDAC6 10/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HASPIN 174/4885HDAC1 5/4885HDAC6 9/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HASPIN 175/4885HDAC1 5/4885HDAC6 9/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HASPIN 403/4885HDAC1 2/4885HDAC6 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.