SCHEMBL447777

SCHEMBL447777

CCCC(NC(=O)c1cc2cc(OCCN3CCCC3)ccc2o1)Oc1ccc(C(=O)NO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.47
TAS1R1 Q7RTX1 7/20 0.47
ADAM17 P78536 6/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
JAK2 O60674 1/20 0.43
BRD4 O60885 1/20 0.43
RET P07949 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
FLT3 P36888 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC3 O15379 1/20 0.43
HTR6 P50406 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MCHR1 Q99705 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
SCHEMBL447539 0.87 TAS1R3 (0.56) TAS1R3TAS1R1HDAC1HDAC3HDAC2
SCHEMBL447778 0.85 TAS1R3 (0.52) TAS1R3TAS1R1ADAM17HDAC1HDAC6
SCHEMBL444970 0.84 ADAM17 (0.45) ADAM17HDAC1HDAC6JAK2BRD4
SCHEMBL444969 0.84 ADAM17 (0.45) ADAM17HDAC1HDAC6JAK2BRD4
SCHEMBL416282 0.81 HPGD (0.51) ADAM17HDAC1HDAC6JAK2BRD4
SCHEMBL445060 0.81 TAS1R3 (0.53) TAS1R3TAS1R1HDAC1HDAC6HDAC8
SCHEMBL5792707 0.80 TAS1R3 (0.54) TAS1R3TAS1R1HDAC1HDAC3HDAC2
SCHEMBL445823 0.80 TAS1R3 (0.54) TAS1R3TAS1R1HDAC1HDAC3HDAC2
SCHEMBL447779 0.80 HDAC1 (0.50) ADAM17HDAC1HDAC6JAK2BRD4
SCHEMBL444240 0.79 TAS1R3 (0.46) TAS1R3TAS1R1HDAC1HDAC3HDAC2

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 47 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
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-9403032-B2 Formulations of histone deacetylase inhibitor and uses therof PHARMACYCLICS LLC (US) 2016-08-02 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-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 TAS1R3 4569/4885TAS1R1 4711/4885ADAM17 2337/4885
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885ADAM17 729/4885
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885ADAM17 729/4885
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF HDAC5, HDAC7, HDAC4 TAS1R3 3267/4885TAS1R1 3436/4885ADAM17 1456/4885
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 TAS1R3 3180/4885TAS1R1 3784/4885ADAM17 2625/4885
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885ADAM17 729/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 TAS1R3 3977/4885TAS1R1 4150/4885ADAM17 588/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 TAS1R3 3904/4885TAS1R1 3886/4885ADAM17 699/4885
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885ADAM17 729/4885
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 TAS1R3 4569/4885TAS1R1 4711/4885ADAM17 2337/4885

“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.