SCHEMBL447723

SCHEMBL447723

CC(COc1ccccc1NC(=O)c1cc2ccccc2o1)Oc1ccc(C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 5/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL15161977 0.81 HDAC2 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL444395 0.81 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL444394 0.81 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL445823 0.73 TAS1R3 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL5792707 0.73 TAS1R3 (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL445824 0.73 TAS1R3 (0.66) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL447724 0.73 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL4255202 0.72 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL445518 0.72 TAS1R3 (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL19476619 0.71 RAB9A (0.73) RAB9ANPC1SMN1; SMN2L3MBTL1TP53

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 29 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
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
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US disclosed
US-8389570-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2013-03-05 US disclosed
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2012-03-15 US disclosed
US-20080248506-A1 Method of Monitoring Anti-Tumor Activity of an Hdac Inhibitor PHARMACYCLICS, INC. (US) 2008-10-09 US disclosed
US-7420089-B2 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) 2008-09-02 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-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
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-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 RAB9A 4301/4885NPC1 1924/4885SMN1; SMN2 4315/4885
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 RAB9A 4653/4885NPC1 965/4885SMN1; SMN2 4389/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 RAB9A 4301/4885NPC1 1924/4885SMN1; SMN2 4315/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 RAB9A 4301/4885NPC1 1924/4885SMN1; SMN2 4315/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 RAB9A 3491/4885NPC1 3248/4885SMN1; SMN2 2126/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 RAB9A 4301/4885NPC1 1924/4885SMN1; SMN2 4315/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 RAB9A 4301/4885NPC1 1924/4885SMN1; SMN2 4315/4885
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 RAB9A 4162/4885NPC1 1614/4885SMN1; SMN2 3363/4885

“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.