SCHEMBL3603580

SCHEMBL3603580

CCOCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.61
KCNH2 Q12809 4/20 0.61
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL3612875 0.95 HDAC1 (0.63) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL3612580 0.92 HDAC1 (0.62) HDAC1KCNH2HDAC2
SCHEMBL4896646 0.91 HDAC1 (0.61) HDAC1KCNH2HDAC2
SCHEMBL3618391 0.91 HDAC1 (0.66) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL3615511 0.89 HDAC1 (0.62) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL3620316 0.89 HDAC1 (0.64) HDAC1KCNH2HDAC2
SCHEMBL30444370 0.89 HDAC1 (0.68) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL3618240 0.89 HDAC1 (0.68) HDAC1KCNH2HDAC2HDAC3HDAC4
SCHEMBL2074848 0.88 HDAC1 (0.63) HDAC1KCNH2
SCHEMBL12842027 0.87 HDAC1 (0.54) HDAC1KCNH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-03-25 US claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
WO-2006075160-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-07-20 WO claimed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-03-25 US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
WO-2006075160-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-07-20 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 (5 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885KCNH2 4232/4885HDAC2 3/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 HDAC1 1077/4885KCNH2 3895/4885HDAC2 904/4885
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER HDAC1, HDAC2, HDAC3 HDAC1 1/4885KCNH2 2678/4885HDAC2 2/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 HDAC1 1163/4885KCNH2 1830/4885HDAC2 933/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 HDAC1 1069/4885KCNH2 3852/4885HDAC2 906/4885

“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.