SCHEMBL2733296

SCHEMBL2733296

CC(C)(C)C(=O)Nc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.61
HDAC1 Q13547 11/20 0.55
HDAC3 O15379 8/20 0.55
HDAC2 Q92769 8/20 0.55
MAPK1 P28482 1/20 0.55
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
NCOR2 Q9Y618 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PTGS1 P23219 1/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALOX12 P18054 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL15711989 0.89 HDAC1 (0.55) CETPHDAC1HDAC3HDAC2MAPK1
SCHEMBL5706504 0.86 CETP (0.71) CETPL3MBTL1RAB9AKDM4EALOX12
SCHEMBL12427249 0.85 PTGS1 (0.55) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL12963094 0.82 LMNA (0.57) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL2087952 0.82 CETP (0.67) CETPL3MBTL1RAB9AKDM4EALOX12
SCHEMBL3846828 0.81 PTGS1 (0.58) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL7089699 0.81 RAB9A (0.71) CETPL3MBTL1RAB9AKDM4EALOX12
SCHEMBL5839324 0.79 SHMT2 (0.55) CETPHDAC1HDAC3HDAC2HDAC4
SCHEMBL27699103 0.79 CETP (0.50) CETPHDAC1HDAC3HDAC2NCOR2
SCHEMBL2301094 0.78 CETP (0.68) CETPL3MBTL1RAB9AKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-05-28 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-8802448-B2 Mixed mode ligands PALL CORPORATION (US) 2014-08-12 US disclosed
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof ASTRAZENECA AB (SE) 2013-06-27 US disclosed
US-20130030154-A1 MIXED MODE LIGANDS PALL CORPORATION (US) 2013-01-31 US disclosed
US-8343996-B2 Azaquinolinone derivatives and uses thereof ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7250514-B1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-07-31 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US 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 (12 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-20200165257-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE AND HISTONE DEACETYLASE FOR TREATMENT OF CANCER HDAC1, HDAC3, HDAC4 CETP 2978/4885HDAC1 1/4885HDAC3 2/4885
US-10246455-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC5 CETP 3749/4885HDAC1 1/4885HDAC3 4/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CETP 3184/4885HDAC1 1/4885HDAC3 4/4885
US-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 CETP 1650/4885HDAC1 1/4885HDAC3 3/4885
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof TPMT, AZI2, NNMT CETP 3733/4885HDAC1 33/4885HDAC3 40/4885
US-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 CETP 2463/4885HDAC1 1/4885HDAC3 6/4885
US-20130030154-A1 MIXED MODE LIGANDS NCL, NECTIN4, NCLN CETP 4449/4885HDAC1 1112/4885HDAC3 1717/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 CETP 1650/4885HDAC1 1/4885HDAC3 3/4885
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC5 CETP 3749/4885HDAC1 1/4885HDAC3 4/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 CETP 3943/4885HDAC1 5/4885HDAC3 3/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 CETP 1650/4885HDAC1 1/4885HDAC3 3/4885
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 CETP 4473/4885HDAC1 784/4885HDAC3 1165/4885

“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.