SCHEMBL445825

SCHEMBL445825

O=C(NO)c1ccc(OCCCCNC(=O)c2cc3ccccc3o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TSHR P16473 1/20 0.68
HDAC1 Q13547 7/20 0.62
HDAC2 Q92769 6/20 0.62
HDAC3 O15379 6/20 0.60
HDAC10 Q969S8 5/20 0.60
HDAC8 Q9BY41 5/20 0.60
HDAC6 Q9UBN7 5/20 0.60
HDAC4 P56524 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
MMP13 P45452 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
NCOR2 Q9Y618 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
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
SCHEMBL446620 0.97 HPGD (0.73) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL29477231 0.93 HPGD (0.78) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL443041 0.93 HPGD (0.78) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL4251140 0.87 HPGD (0.69) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL445062 0.86 HDAC1 (0.64) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL447541 0.85 HDAC1 (0.60) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL416296 0.84 HDAC1 (0.64) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL4247735 0.84 HPGD (0.73) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL445311 0.83 SMN1; SMN2 (0.84) HPGDSMN1; SMN2TSHRHDAC1HDAC2
SCHEMBL3660130 0.83 HDAC2 (0.70) HPGDSMN1; SMN2TSHRHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF LES LABORATOIRES SERVIER SAS (FR) 2014-11-20 US claimed
EP-2755648-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF Pharmacyclics, Inc. (US) 2014-07-23 EP claimed
WO-2013039488-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF PHARMACYCLICS, INC. (US) 2013-03-21 WO claimed
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. (US) 2011-12-22 US claimed
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
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-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2019-06-20 US disclosed
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof PHARMACYCLICS LLC (US) 2018-10-23 US disclosed
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2017-11-23 US disclosed
US-9492423-B2 Formulations of histone deacetylase inhibitor in combination with bendamustine and uses thereof PHARMACYCLICS LLC (US) 2016-11-15 US disclosed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 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-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 HPGD 661/4885SMN1; SMN2 3363/4885TSHR 4327/4885
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HPGD 748/4885SMN1; SMN2 1502/4885TSHR 2958/4885
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HPGD 748/4885SMN1; SMN2 1502/4885TSHR 2958/4885
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF HDAC5, HDAC7, HDAC4 HPGD 3359/4885SMN1; SMN2 968/4885TSHR 3923/4885
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 HPGD 525/4885SMN1; SMN2 4389/4885TSHR 3227/4885
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof HDAC1, HDAC7, HDAC5 HPGD 748/4885SMN1; SMN2 1502/4885TSHR 2958/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HPGD 122/4885SMN1; SMN2 4315/4885TSHR 3809/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 HPGD 472/4885SMN1; SMN2 2126/4885TSHR 3534/4885
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 HPGD 748/4885SMN1; SMN2 1502/4885TSHR 2958/4885
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 HPGD 661/4885SMN1; SMN2 3363/4885TSHR 4327/4885

“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.