SCHEMBL1993436

SCHEMBL1993436

NC(=O)c1cn(Cc2cccc(F)c2)c2cc(C(=O)O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC22A12 Q96S37 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ICMT O60725 1/20 0.45
SERPINE1 P05121 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F10 P00742 2/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL1993195 0.88 SERPINE1 (0.55) GAAALDH1A1LMNAHTTNPSR1
SCHEMBL1994067 0.87 SERPINE1 (0.56) GAAALDH1A1HTTNPSR1SLC22A12
SCHEMBL1991908 0.86 ADRA1D (0.55) ALDH1A1LMNASLC22A12L3MBTL1SERPINE1
SCHEMBL1990571 0.86 SLC22A12 (0.53) ALDH1A1LMNANPSR1SLC22A12L3MBTL1
SCHEMBL1994563 0.84 ADRA1D (0.54) GAAALDH1A1LMNASLC22A12TP53
SCHEMBL1993115 0.82 PDE4A (0.48) SLC22A12ICMTSERPINE1F10
SCHEMBL1995310 0.81 ADRA1D (0.51) HTTNPSR1SLC22A12SERPINE1SMN1; SMN2
SCHEMBL5464879 0.81 SLC22A12 (0.45) ALDH1A1SLC22A12SERPINE1SMN1; SMN2F10
SCHEMBL1993272 0.81 PDE4A (0.46) GAASLC22A12SERPINE1
SCHEMBL1995000 0.81 RAB9A (0.55) GAAALDH1A1LMNATDP1HTT

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 19 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-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
WO-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 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 (8 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 GAA 777/4885ALDH1A1 1362/4885LMNA 1364/4885
US-20080112889-A1 Uses of Selective Inhibitors of HDAC8 for Treatment of T-Cell Proliferative Disorders HDAC8, HDAC5, HDAC7 GAA 532/4885ALDH1A1 2751/4885LMNA 1134/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 GAA 1018/4885ALDH1A1 3783/4885LMNA 3765/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 GAA 777/4885ALDH1A1 1362/4885LMNA 1364/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 GAA 1018/4885ALDH1A1 3783/4885LMNA 3765/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG GAA 4828/4885ALDH1A1 4439/4885LMNA 1944/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 GAA 990/4885ALDH1A1 3775/4885LMNA 3651/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 GAA 777/4885ALDH1A1 1362/4885LMNA 1364/4885

“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.