SCHEMBL444899

SCHEMBL444899

O=C(O)c1oc2ccccc2c1COCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.49
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
NPY1R P25929 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
APEX1 P27695 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41

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 0.79 MEN1 (0.60) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL445913 0.78 HDAC3 (0.59) NPY1RSMN1; SMN2TP53POLBTSHR
SCHEMBL447564 0.77 NPY1R (0.68) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL1443853 0.76 MCL1 (0.58) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL27556248 0.75 MCL1 (0.60) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL415609 0.74 HDAC3 (0.69) NPY1RSMN1; SMN2TP53POLBALDH1A1
SCHEMBL2773751 0.73 MCL1 (0.58) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL9393930 0.73 PLK1 (0.64) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL28096506 0.73 KMT2A (0.59) MCL1BCL2BCL2L1BADNPY1R
SCHEMBL17179777 0.73 TP53 (0.55) MCL1BCL2BCL2L1BADMEN1

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-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-8026371-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2011-09-27 US disclosed
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 US disclosed
US-7834054-B2 Use of the histone deacetylase inhibitor N-hydroxy-4-[2-(3-dimethylaminobenzofuran-2-ylcarbonylamino)ethoxy]benzamide (aka CRA-24781, PCI-24781) for treating myelogenous leukemia (MML) or acute myelogenous leukemia (AML), optionally in combination therapy PHARMACYCLICS, INC. (US) 2010-11-16 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
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
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 (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 MCL1 25/4885BCL2 204/4885BCL2L1 257/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MCL1 2011/4885BCL2 3582/4885BCL2L1 3518/4885
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 MCL1 1515/4885BCL2 495/4885BCL2L1 903/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MCL1 2011/4885BCL2 3582/4885BCL2L1 3518/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MCL1 2011/4885BCL2 3582/4885BCL2L1 3518/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MCL1 2011/4885BCL2 3582/4885BCL2L1 3518/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 MCL1 2011/4885BCL2 3582/4885BCL2L1 3518/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 MCL1 2125/4885BCL2 3814/4885BCL2L1 4377/4885

“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.