SCHEMBL443584

SCHEMBL443584

O=C(NO)c1ccc(OCCNC(=O)c2ccccc2-n2cccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 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
SCHEMBL4249441 0.90 KMT2A (0.49) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL443002 0.83 NPC1 (0.57) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL443363 0.80 NPC1 (0.79) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL446343 0.79 HDAC8 (0.65) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL443845 0.76 NPC1 (0.61) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL442858 0.76 NPC1 (0.58) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL14918006 0.75 HDAC4 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC10
SCHEMBL974278 0.75 ALDH1A1 (0.71) SMN1; SMN2KMT2APOLBCYP2C9CYP2C19
SCHEMBL444204 0.74 MEN1 (0.54) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL4254171 0.74 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2MEN1

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 25 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-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-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-7482466-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) 2009-01-27 US disclosed
US-20080255221-A1 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-10-16 US disclosed
US-20080255214-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) 2008-10-16 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 NPC1 1614/4885RAB9A 4162/4885HPGD 661/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPC1 1924/4885RAB9A 4301/4885HPGD 122/4885
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 NPC1 965/4885RAB9A 4653/4885HPGD 525/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPC1 1924/4885RAB9A 4301/4885HPGD 122/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPC1 1924/4885RAB9A 4301/4885HPGD 122/4885
US-20080255214-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 NPC1 1614/4885RAB9A 4162/4885HPGD 661/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPC1 1924/4885RAB9A 4301/4885HPGD 122/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NPC1 1924/4885RAB9A 4301/4885HPGD 122/4885
US-20080255221-A1 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 NPC1 1566/4885RAB9A 4385/4885HPGD 380/4885
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 NPC1 1614/4885RAB9A 4162/4885HPGD 661/4885

“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.