SCHEMBL1995006

SCHEMBL1995006

NC(=O)c1cn(CC=Cc2ccccc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.40
TBXAS1 P24557 2/20 0.37
MCHR1 Q99705 1/20 0.37
KMT2A Q03164 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
CNR1 P21554 1/20 0.35
PAM P19021 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ADORA1 P30542 1/20 0.35
SERPINE1 P05121 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL1993195 0.79 SERPINE1 (0.55) SLC22A12KMT2ACNR1LMNAADORA1
SCHEMBL1992229 0.77 ADRA1D (0.50) SLC22A12CNR1ADORA1SERPINE1PARP1
SCHEMBL1997003 0.75 ADRA1D (0.52) SLC22A12CNR1SERPINE1PARP1
SCHEMBL1995000 0.74 RAB9A (0.55) SLC22A12KMT2ALMNAMAPTNPSR1
SCHEMBL1992798 0.74 SLC22A12 (0.57) SLC22A12KMT2ALMNAPOLBMAPT
SCHEMBL1995112 0.74 GAA (0.53) SLC22A12KMT2ALMNASERPINE1MAPT
SCHEMBL1990571 0.74 SLC22A12 (0.53) SLC22A12LMNAADORA1SERPINE1MAPT
SCHEMBL1993115 0.74 PDE4A (0.48) SLC22A12SERPINE1
SCHEMBL1995310 0.72 ADRA1D (0.51) SLC22A12ADORA1SERPINE1MAPTNPSR1
SCHEMBL2510390 0.72 LMNA (0.54) KMT2ACNR1LMNAADORA1MAPT

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 16 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-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
WO-2008060721-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF T-CELL PROLIFERATIVE DISORDERS 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 SLC22A12 3265/4885TBXAS1 3628/4885MCHR1 2606/4885
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders HDAC8, HDAC5, HDAC7 SLC22A12 2871/4885TBXAS1 3071/4885MCHR1 4290/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 SLC22A12 4465/4885TBXAS1 1653/4885MCHR1 3961/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 SLC22A12 3265/4885TBXAS1 3628/4885MCHR1 2606/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 SLC22A12 4465/4885TBXAS1 1653/4885MCHR1 3961/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 SLC22A12 4457/4885TBXAS1 1634/4885MCHR1 3878/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 SLC22A12 3265/4885TBXAS1 3628/4885MCHR1 2606/4885

“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.