SCHEMBL443041

SCHEMBL443041

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
TSHR P16473 1/20 0.78
HDAC2 Q92769 7/20 0.58
HDAC1 Q13547 6/20 0.58
HDAC3 O15379 5/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
NCOR2 Q9Y618 2/20 0.58
TDP1 Q9NUW8 3/20 0.57
MMP13 P45452 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL29477231 1.00 HPGD (0.78) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL446620 0.97 HPGD (0.73) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL445825 0.93 HPGD (0.68) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL4247735 0.90 HPGD (0.73) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL445311 0.90 SMN1; SMN2 (0.84) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL443880 0.88 SMN1; SMN2 (0.61) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL4251140 0.87 HPGD (0.69) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL446067 0.87 HPGD (0.58) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL445805 0.86 HDAC3 (0.63) HPGDSMN1; SMN2TSHRHDAC2HDAC1
SCHEMBL443586 0.86 HPGD (0.57) HPGDSMN1; SMN2TSHRHDAC2HDAC1

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 69 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-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-10898461-B2 Salts of 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl) phenoxy]ethyli-1-benzofuran-2-carboxamide, related crystalline forms, method for preparing the same and pharmaceutical compositions containing the same PHARMACYCLICS LLC (US) 2021-01-26 US disclosed
US-20200069637-A1 NOVEL SALTS OF 3-[(DIMETHYLAMINO)METHYL]-N-{2-[4-(HYDROXYCARBAMOYL) PHENOXY]ETHYLI-1-BENZOFURAN-2-CARBOXAMIDE, RELATED CRYSTALLINE FORMS, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2020-03-05 US disclosed
US-20170266151-A1 Novel salts of 3-[(DIMETHYLAMINO)METHYL]-N--1-BENZOFURAN-2-CARBOXAMIDE, related crystalline forms, method for preparing the same and pharmaceutical compositions containing the same PHARMACYCLICS LLC (US) 2017-09-21 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-9186347-B1 Hydroxamates as therapeutic agents PHARMACYCLICS LLC (US) 2015-11-17 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
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-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-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
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
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-20200069637-A1 NOVEL SALTS OF 3-[(DIMETHYLAMINO)METHYL]-N-{2-[4-(HYDROXYCARBAMOYL) PHENOXY]ETHYLI-1-BENZOFURAN-2-CARBOXAMIDE, RELATED CRYSTALLINE FORMS, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CA13, CA1, CA6 HPGD 320/4885SMN1; SMN2 1897/4885TSHR 4122/4885
US-10898461-B2 Salts of 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl) phenoxy]ethyli-1-benzofuran-2-carboxamide, related crystalline forms, method for preparing the same and pharmaceutical compositions containing the same CA13, CA1, CPS1 HPGD 343/4885SMN1; SMN2 1699/4885TSHR 4300/4885
US-20170266151-A1 Novel salts of 3-[(DIMETHYLAMINO)METHYL]-N--1-BENZOFURAN-2-CARBOXAMIDE, related crystalline forms, method for preparing the same and pharmaceutical compositions containing the same CA1, CA13, CA12 HPGD 294/4885SMN1; SMN2 1814/4885TSHR 3821/4885
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-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HPGD 122/4885SMN1; SMN2 4315/4885TSHR 3809/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HPGD 122/4885SMN1; SMN2 4315/4885TSHR 3809/4885

“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.