SCHEMBL1993073

SCHEMBL1993073

NC(=O)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.58
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PTGER4 P35408 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
GCGR P47871 2/20 0.42
GIPR P48546 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1991393 0.86 HDAC1 (0.60) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1993514 0.85 HDAC1 (0.45) SERPINE1HDAC1HDAC2HDAC6MRGPRX4
SCHEMBL1994067 0.84 SERPINE1 (0.56) SERPINE1SLC22A12TP53MAPT
SCHEMBL1995310 0.83 ADRA1D (0.51) SERPINE1HDAC1HDAC2HDAC6SLC22A12
SCHEMBL1993195 0.83 SERPINE1 (0.55) SERPINE1SLC22A12TP53MAPT
SCHEMBL2000207 0.82 MEN1 (0.51) SERPINE1HDAC1HDAC2HDAC6SLC22A12
SCHEMBL1993272 0.80 PDE4A (0.46) SERPINE1HDAC1HDAC2HDAC6SLC22A12
SCHEMBL1999052 0.79 HDAC1 (0.49) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1993115 0.79 PDE4A (0.48) SERPINE1SLC22A12
SCHEMBL24636939 0.78 SERPINE1 (0.62) SERPINE1CHRM1

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-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-7820711-B2 Uses of selective inhibitors of HDAC8 for treatment of T-cell proliferative disorders PHARMACYCLICS INC. (US) 2010-10-26 US 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 SERPINE1 1316/4885HDAC1 2/4885HDAC2 3/4885
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders HDAC8, HDAC5, HDAC7 SERPINE1 632/4885HDAC1 4/4885HDAC2 8/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 SERPINE1 122/4885HDAC1 5/4885HDAC2 2/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 SERPINE1 1316/4885HDAC1 2/4885HDAC2 3/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 SERPINE1 122/4885HDAC1 5/4885HDAC2 2/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 SERPINE1 124/4885HDAC1 5/4885HDAC2 2/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 SERPINE1 1316/4885HDAC1 2/4885HDAC2 3/4885

“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.