SCHEMBL447564

SCHEMBL447564

O=C(O)c1oc2ccccc2c1COc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
LMNA P02545 5/20 0.65
L3MBTL1 Q9Y468 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
TP53 P04637 1/20 0.65
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 4/20 0.62
MAPT P10636 3/20 0.62
HTT P42858 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
HPGD P15428 1/20 0.58
GAA P10253 2/20 0.56
MCL1 Q07820 4/20 0.54
BCL2 P10415 1/20 0.54
BCL2L1 Q07817 1/20 0.54
BAD Q92934 1/20 0.54
TSHR P16473 1/20 0.53
APEX1 P27695 1/20 0.53
MEN1 O00255 1/20 0.51

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
SCHEMBL701847 0.83 MEN1 (0.60) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL29591956 0.80 MCL1 (0.53) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL4838043 0.79 NPY1R (0.55) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL8592840 0.79 NPY1R (0.55) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL27556248 0.79 MCL1 (0.60) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL9393930 0.78 PLK1 (0.64) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL28096506 0.78 KMT2A (0.59) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL1443853 0.78 MCL1 (0.58) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL2773751 0.78 MCL1 (0.58) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1
SCHEMBL444899 0.77 MCL1 (0.49) NPY1RSMN1; SMN2LMNAL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101674820-B Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS INC 2013-09-25 CN 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-8389570-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2013-03-05 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP 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
WO-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO disclosed
US-20050227976-A1 Novel hydroxamates as therapeutic agents AXYS PHARMACEUTICALS, INC. (US) 2005-10-13 US 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
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO 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 (6 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 NPY1R 4754/4885SMN1; SMN2 4315/4885LMNA 2695/4885
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 NPY1R 4021/4885SMN1; SMN2 4389/4885LMNA 332/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPY1R 4754/4885SMN1; SMN2 4315/4885LMNA 2695/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPY1R 4754/4885SMN1; SMN2 4315/4885LMNA 2695/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 NPY1R 4747/4885SMN1; SMN2 3020/4885LMNA 1342/4885
US-20050227976-A1 Novel hydroxamates as therapeutic agents HDAC1, HDAC5, HDAC10 NPY1R 4699/4885SMN1; SMN2 2607/4885LMNA 2415/4885

“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.