SCHEMBL445823

SCHEMBL445823

CCCC(NC(=O)c1cc2ccccc2o1)Oc1ccc(C(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.54
TAS1R1 Q7RTX1 7/20 0.54
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
HSD17B10 Q99714 1/20 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
SCHEMBL5792707 1.00 TAS1R3 (0.54) TAS1R3TAS1R1MAPTTP53SMN1; SMN2
SCHEMBL446719 0.88 MAPT (0.48) TAS1R3TAS1R1MAPTTP53SMN1; SMN2
SCHEMBL444947 0.87 HDAC1 (0.48) TAS1R3TAS1R1MAPTTP53SMN1; SMN2
SCHEMBL445060 0.87 TAS1R3 (0.53) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL442972 0.87 SMN1; SMN2 (0.47) TAS1R3TAS1R1MAPTTP53SMN1; SMN2
SCHEMBL447539 0.85 TAS1R3 (0.56) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL442961 0.83 HDAC1 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL6919103 0.82 TAS1R3 (0.57) TAS1R3TAS1R1MAPTTP53SMN1; SMN2
SCHEMBL2410701 0.82 TAS1R3 (0.57) TAS1R3TAS1R1MAPTTP53SMN1; SMN2
SCHEMBL443730 0.81 TAS1R3 (0.50) TAS1R3TAS1R1SMN1; SMN2KMT2ANPC1

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 49 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
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-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 4711/4885MAPT 4321/4885
US-20110311624-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885MAPT 744/4885
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885MAPT 744/4885
US-20140341989-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR IN COMBINATION WITH BENDAMUSTINE AND USES THEREOF HDAC5, HDAC7, HDAC4 TAS1R3 3267/4885TAS1R1 3436/4885MAPT 399/4885
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 3784/4885MAPT 3735/4885
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885MAPT 744/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 TAS1R3 3977/4885TAS1R1 4150/4885MAPT 4192/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 TAS1R3 3904/4885TAS1R1 3886/4885MAPT 3147/4885
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 TAS1R3 4290/4885TAS1R1 4190/4885MAPT 744/4885
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 4711/4885MAPT 4321/4885

“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.