SCHEMBL178803

SCHEMBL178803

CN1CCC(C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL15038219 0.91 ATM (0.36) NCF1HTR2AALDH1A1HRH3
SCHEMBL25949258 0.91 ATM (0.36) NCF1HTR2AALDH1A1HRH3
SCHEMBL6889570 0.87 ALDH1A1 (0.42) NCF1ALDH1A1
SCHEMBL14930346 0.84 NCF1 (0.36) NCF1
SCHEMBL14022396 0.84 NCF1 (0.36) NCF1
SCHEMBL9939993 0.84 NCF1 (0.36) NCF1
SCHEMBL22597888 0.81 NCF1 (0.37) NCF1HTR2AHTR2CALDH1A1
SCHEMBL19421050 0.81 NCF1 (0.37) NCF1HTR2AHTR2CALDH1A1
SCHEMBL6924587 0.77 ALDH1A1 (0.42) ALDH1A1SLC6A4HRH3
SCHEMBL6926895 0.77 ALDH1A1 (0.42) ALDH1A1SLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF PHARMACYCLICS LLC 2015-06-18 US claimed
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 US claimed
WO-2010123507-A1 TREATMENT OF NON-LOCALIZED INFLAMMATION WITH PAN-HDAC INHIBITORS PHARMACYCLICS, INC. (US) 2010-10-28 WO claimed
US-20090270497-A1 Treatment of Non-Localized Inflammation with pan-HDAC Inhibitors PHARMACYCLICS, INC. (US) 2009-10-29 US claimed
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
US-7517988-B2 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2009-04-14 US claimed
US-7482466-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) 2009-01-27 US claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-7368476-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2008-05-06 US claimed
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 claimed
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 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
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO claimed
US-20050227976-A1 Novel hydroxamates as therapeutic agents AXYS PHARMACEUTICALS, INC. (US) 2005-10-13 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
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed

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 NCF1 275/4885HTR2A 3856/4885HTR2C 2951/4885
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF HDAC1, HDAC2, HDAC8 NCF1 276/4885HTR2A 920/4885HTR2C 1556/4885
US-20090270497-A1 Treatment of Non-Localized Inflammation with pan-HDAC Inhibitors HDAC2, HDAC1, HDAC4 NCF1 198/4885HTR2A 2936/4885HTR2C 3528/4885
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 NCF1 610/4885HTR2A 682/4885HTR2C 333/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 NCF1 880/4885HTR2A 3632/4885HTR2C 3365/4885
US-20050227976-A1 Novel hydroxamates as therapeutic agents HDAC1, HDAC5, HDAC10 NCF1 881/4885HTR2A 2879/4885HTR2C 3482/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 NCF1 2709/4885HTR2A 1636/4885HTR2C 2350/4885
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 NCF1 275/4885HTR2A 3856/4885HTR2C 2951/4885

“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.