SCHEMBL443476

SCHEMBL443476

CN(C)CCOc1c[c]nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.51
HTR7 P34969 3/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
TOP2A P11388 1/20 0.42
KAT2B Q92831 1/20 0.41
CYBB P04839 1/20 0.41
NCF1 P14598 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9479332 0.83 TLR8 (0.44) NCF1KDM4EALDH1A1
SCHEMBL442375 0.82 MPO (0.43) NCF1SMN1; SMN2
SCHEMBL9479399 0.80 TLR8 (0.41) NCF1KDM4EALDH1A1SMN1; SMN2
SCHEMBL444712 0.79 MCHR1 (0.39) CYBBNCF1
SCHEMBL315073 0.74 LMNA (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL9479380 0.70 KCNH2 (0.36) SMN1; SMN2
SCHEMBL8352887 0.69 HTR7 (0.65) HTR1BHTR7ADRB2ADRB1DRD2
SCHEMBL8379698 0.68 HTR1B (1.00) HTR1BHTR7ADRB2ADRB1KDM4E
SCHEMBL11174797 0.68 HTR1B (0.59) HTR1BHTR7ADRB2ADRB1DRD2
SCHEMBL18949729 0.68 HTT (0.56) HTR1BHTR7ADRB2ADRB1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 US disclosed
EP-2099442-B1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS INC (US) 2014-11-19 EP 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
EP-2626067-A1 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS, INC. (US) 2013-08-14 EP 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-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
WO-2008082856-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-07-10 WO 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
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 (8 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 HTR1B 4095/4885HTR7 3562/4885ADRB2 4852/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HTR1B 3648/4885HTR7 2621/4885ADRB2 4882/4885
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 HTR1B 1614/4885HTR7 500/4885ADRB2 4291/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HTR1B 3648/4885HTR7 2621/4885ADRB2 4882/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 HTR1B 2404/4885HTR7 1453/4885ADRB2 4721/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HTR1B 3648/4885HTR7 2621/4885ADRB2 4882/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HTR1B 3648/4885HTR7 2621/4885ADRB2 4882/4885
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 HTR1B 4095/4885HTR7 3562/4885ADRB2 4852/4885

“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.