SCHEMBL442957

SCHEMBL442957

CN1CCN(Cc2ncc(-c3cc[c]cc3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MC4R P32245 1/20 0.36
CHKA P35790 2/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 1/20 0.35
CA2 P00918 1/20 0.35
NCF1 P14598 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
OGA O60502 1/20 0.34
SRC P12931 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL444649 0.76 TDP1 (0.50) TDP1MKNK1
SCHEMBL3140527 0.70 CHKA (0.70) MC4RCHKALMNACA2NCF1
SCHEMBL742562 0.69 MC4R (0.66) KDM4EMC4RCHKALMNACA2
SCHEMBL3146310 0.68 MC4R (0.54) MC4RCHKADRD4DRD3
SCHEMBL3599537 0.66 AOC3 (0.41)
SCHEMBL27909535 0.64 SRC (0.46) CHKALMNACA2NCF1PRMT6
SCHEMBL18227661 0.64 CHKA (0.70) KDM4ETDP1MC4RCHKALMNA
SCHEMBL11516196 0.64 HSD17B1 (0.49) KDM4ELMNA
SCHEMBL24188287 0.64 HRH3 (0.46) KITFLT3MC4RCHKALMNA
SCHEMBL14338850 0.63 ALOX15 (0.56)

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
CN-101674820-B Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS INC 2013-09-25 CN 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-20080255221-A1 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-10-16 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
CN-1768031-A hydroxamates as therapeutic agents AXYS PHARM INC (US) 2006-05-03 CN 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 KIT 3140/4885FLT3 2439/4885KDM4E 665/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KIT 4582/4885FLT3 3746/4885KDM4E 561/4885
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 KIT 4172/4885FLT3 3884/4885KDM4E 471/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KIT 4582/4885FLT3 3746/4885KDM4E 561/4885
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 KIT 3970/4885FLT3 4363/4885KDM4E 1429/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KIT 4582/4885FLT3 3746/4885KDM4E 561/4885
US-20080255221-A1 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 KIT 4323/4885FLT3 4228/4885KDM4E 139/4885
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 KIT 3140/4885FLT3 2439/4885KDM4E 665/4885

“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.