SCHEMBL444819

SCHEMBL444819

COc1ccc2[nH]c(C(=O)NCCOc3ccc(C(=O)NO)cc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HDAC1 Q13547 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52

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
SCHEMBL4250970 0.91 KDM4E (0.61) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL444982 0.88 HDAC1 (0.49) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL446978 0.87 HDAC1 (0.58) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL446419 0.86 KDM4E (0.56) KDM4EALDH1A1HDAC1HDAC2HDAC3
SCHEMBL4819051 0.83 KDM4E (0.56) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL14613948 0.81 HDAC2 (0.61) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL445848 0.81 HDAC3 (0.62) KDM4EMAPTHDAC1HDAC2HDAC3
SCHEMBL8312368 0.80 HDAC1 (0.46) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL4554027 0.80 KDM4E (0.60) KDM4EMAPTALDH1A1HDAC1HDAC2
SCHEMBL4249821 0.80 HDAC1 (0.47) KDM4EMAPTALDH1A1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 US claimed
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
US-7276612-B2 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides PHARMACYCLICS, INC. (US) 2007-10-02 US claimed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US claimed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 US disclosed
US-9186347-B1 Hydroxamates as therapeutic agents PHARMACYCLICS LLC (US) 2015-11-17 US disclosed
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 US disclosed
EP-2099442-B1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS INC (US) 2014-11-19 EP disclosed
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US disclosed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
EP-2626067-A1 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS, INC. (US) 2013-08-14 EP disclosed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US disclosed
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-06-26 US disclosed
US-20080004331-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. (US) 2008-01-03 US disclosed
US-20070293540-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. 2007-12-20 US disclosed
US-7276612-B2 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides PHARMACYCLICS, INC. (US) 2007-10-02 US disclosed
WO-2006042035-A2 METHOD OF MONITORING ANTI-TUMOR ACTIVITY OF AN HDAC INHIBITOR PHARMACYCLICS, INC. (US) 2006-04-20 WO disclosed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO 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-20070293540-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition HDAC3, HDAC1, CDC25C KDM4E 665/4885MAPT 4321/4885ALDH1A1 643/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM4E 561/4885MAPT 4192/4885ALDH1A1 871/4885
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AADAC, HDAC3, HDAC4 KDM4E 471/4885MAPT 3735/4885ALDH1A1 683/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM4E 561/4885MAPT 4192/4885ALDH1A1 871/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM4E 561/4885MAPT 4192/4885ALDH1A1 871/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 KDM4E 1429/4885MAPT 3147/4885ALDH1A1 1840/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM4E 561/4885MAPT 4192/4885ALDH1A1 871/4885
US-20080004331-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition HDAC3, HDAC1, CDC25C KDM4E 665/4885MAPT 4321/4885ALDH1A1 643/4885

“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.