SCHEMBL446844

SCHEMBL446844

O=C(NO)c1cc(OCCCNC(=O)c2cccc3ccccc23)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.53
HDAC8 Q9BY41 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MMP3 P08254 1/20 0.47
HPGD P15428 2/20 0.46
PPARG P37231 1/20 0.44
ITPR1 Q14643 1/20 0.44
DRD3 P35462 2/20 0.41
SLC6A4 P31645 1/20 0.41
AURKA O14965 1/20 0.41
LCK P06239 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
SCHEMBL446787 0.97 SMPD1 (0.51) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL4254774 0.91 ITPR1 (0.44) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL4253316 0.88 HPGD (0.45) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL443109 0.82 HDAC1 (0.56) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL443091 0.82 SMPD1 (0.51) SMPD1HPGD
SCHEMBL443603 0.81 HPGD (0.59) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL444694 0.80 HDAC8 (0.47) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL443568 0.79 SMPD1 (0.47) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL445624 0.79 HDAC1 (0.57) SMPD1HDAC8HDAC1HDAC6HDAC3
SCHEMBL445977 0.78 SMPD1 (0.52) SMPD1

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 28 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-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP 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
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed
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-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-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
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 SMPD1 2549/4885HDAC8 12/4885HDAC1 2/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMPD1 987/4885HDAC8 11/4885HDAC1 1/4885
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 SMPD1 3990/4885HDAC8 7/4885HDAC1 5/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMPD1 987/4885HDAC8 11/4885HDAC1 1/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMPD1 987/4885HDAC8 11/4885HDAC1 1/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMPD1 987/4885HDAC8 11/4885HDAC1 1/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 SMPD1 987/4885HDAC8 11/4885HDAC1 1/4885
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 SMPD1 2549/4885HDAC8 12/4885HDAC1 2/4885

“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.