SCHEMBL379147

SCHEMBL379147

O=[C]NOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
EPHX2 P34913 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
SCHEMBL183480 0.74
SCHEMBL23500676 0.74
SCHEMBL8008421 0.74
SCHEMBL9176156 0.73 CCNA2 (0.44) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL28657009 0.73 MEN1 (0.31) MEN1KMT2A
SCHEMBL3985735 0.73 ADH1B (0.32) MEN1KMT2A
SCHEMBL4820322 0.72 MEN1 (0.32) MEN1KMT2A
SCHEMBL23128370 0.72
SCHEMBL29102259 0.72 MEN1 (0.38) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL8188002 0.72 CCNA2 (0.38) MEN1KMT2ACCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078896-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2015-07-14 US claimed
US-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2014-05-15 US claimed
EP-1981875-B1 SUBSTITUTED INDOLYL-ALKYL-AMINO-DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP claimed
US-8664223-B2 Pyridine and pyrimidine derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V (BE) 2014-03-04 US claimed
US-8476289-B2 Aza-bicyclohexyl substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylace JANSSEN PHARMACEUTICA NV (BE) 2013-07-02 US claimed
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-06 US claimed
EP-1979328-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2012-12-26 EP claimed
EP-1979326-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2012-10-03 EP claimed
EP-2274301-B1 AZA-BICYCLOHEXYL SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2012-09-26 EP claimed
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE (BE) 2012-08-30 US claimed
EP-1781639-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP claimed
WO-2006010750-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-02 WO claimed
US-6967197-B2 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-22 US claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (4 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-20140135341-A1 Pyridine And Pyrimidine Derivatives As Inhibitors Of Histone Deacetylase HDAC1, HDAC11, HDAC3 MEN1 4139/4885KMT2A 110/4885CCNA2 551/4885
US-20030134849-A1 Thiazepinyl hydroxamic acid derivatives as matrix metalloproteinase inhibitors MMP9, MMP1, MMP3 MEN1 3290/4885KMT2A 1232/4885CCNA2 856/4885
US-20120220615-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 MEN1 3830/4885KMT2A 45/4885CCNA2 419/4885
US-20130143898-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 4139/4885KMT2A 110/4885CCNA2 551/4885

“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.