SCHEMBL1065287

SCHEMBL1065287

O=C1c2ccccc2C(=O)N1CCc1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.65
NR1H3 Q13133 1/20 0.63
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
CA9 Q16790 1/20 0.62
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RPS6KA2 Q15349 1/20 0.54
HSD17B10 Q99714 2/20 0.50
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
PARK7 Q99497 1/20 0.50
APAF1 O14727 1/20 0.50

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
SCHEMBL14092273 0.90 TDP1 (0.66) CASP3NR1H3CA1CA2CA4
SCHEMBL916618 0.88 TDP1 (0.73) CASP3NR1H3TDP1L3MBTL1TSHR
SCHEMBL26626715 0.87 TDP1 (0.77) NR1H3TDP1L3MBTL1TSHRMAPK1
SCHEMBL30601923 0.87 TDP1 (0.77) NR1H3TDP1L3MBTL1TSHRMAPK1
SCHEMBL1430310 0.86 CASP3 (0.65) CASP3CA1CA2CA4CA9
SCHEMBL1142116 0.85 CASP3 (0.86) CASP3CA1CA2CA4CA9
SCHEMBL29724090 0.85 CASP3 (0.86) CASP3CA1CA2CA4CA9
SCHEMBL6183842 0.85 PPARD (0.58) CASP3NR1H3CA1CA2CA4
SCHEMBL18074272 0.84 CASP3 (0.67) CASP3CA1CA2CA4CA9
SCHEMBL8085887 0.83 CA1 (0.50) CASP3NR1H3CA1CA2CA4

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using UNITED STATES GOVERNMENT 2018-05-31 US disclosed
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using UNITED STATES GOVERNMENT 2018-05-31 US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
US-8097725-B2 Luminescent indicator dye and optical sensor ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-01-17 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
EP-0004011-B1 PHENOXYALKYLCARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-04-01 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed
EP-0004011-A1 Phenoxyalkylcarboxylic-acid derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-09-19 EP 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 (4 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-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using EZR, CDC42, ERMP1 CASP3 3020/4885NR1H3 2645/4885CA1 2849/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 CASP3 1184/4885NR1H3 845/4885CA1 1896/4885
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING EZR, NHERF1, ERMP1 CASP3 3102/4885NR1H3 3548/4885CA1 2818/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 CASP3 1184/4885NR1H3 845/4885CA1 1896/4885

“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.