SCHEMBL3657504

SCHEMBL3657504

CC(C)(C)OC(=O)NCc1ccc(C(=O)O)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.45
HDAC1 Q13547 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.44
GRM2 Q14416 1/20 0.43
NAMPT P43490 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 1/20 0.42
KDM4A O75164 1/20 0.42
TSHR P16473 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
GLS O94925 2/20 0.41

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
SCHEMBL474132 0.89 ALDH1A1 (0.53) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL30910306 0.87 NR1H4 (0.48) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL1205128 0.87 NR1H4 (0.48) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL7407052 0.86 HDAC1 (0.48) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL31019193 0.85 NR1H4 (0.62) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL1244785 0.85 NR1H4 (0.61) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL3897985 0.85 NR1H4 (0.62) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL16392318 0.85 HDAC1 (0.47) HDAC1L3MBTL1GRM2NAMPTCA1
SCHEMBL25256049 0.84 NR1H4 (0.45) NR1H4HDAC1L3MBTL1EPHX2GRM2
SCHEMBL16415430 0.84 NR1H4 (0.45) NR1H4HDAC1L3MBTL1EPHX2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118713-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2018-05-03 US disclosed
US-9834538-B2 6-, 7-, or 8-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-12-05 US disclosed
US-20170129873-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2017-05-11 US disclosed
US-9586929-B2 6-, 7-, or 8-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-03-07 US disclosed
US-20150291555-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2015-10-15 US disclosed
US-9096573-B2 6-, 7-, or 8-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2015-08-04 US disclosed
CN-104211684-A 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CELGENE CORP 2014-12-17 CN disclosed
CN-101952272-B 6-, 7-or 8-substituted quinazolinone derivatives, compositions containing the same, and methods of use thereof CELGENE CORP 2014-08-27 CN disclosed
EP-2200999-B1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2014-08-13 EP disclosed
US-20130289274-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2013-10-31 US disclosed
US-8492395-B2 7-substituted quinazolinone compounds and compositions comprising the same CELGENE CORPORATION (US) 2013-07-23 US disclosed
CN-1863798-B 2, 4-dioxo-3-quinazolinyl arylsulfonyl urea PORTOLA PHARM INC 2011-08-31 CN disclosed
CN-101952272-A 6-, 7-or 8-substituted quinazolinone derivatives, compositions containing the same, and methods of use thereof CELGENE CORP 2011-01-19 CN disclosed
EP-2200999-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-06-30 EP disclosed
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CELGENE CORPORATION 2009-04-09 US disclosed
WO-2009042177-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2009-04-02 WO disclosed
CN-1863798-A 2, 4-dioxo-3-quinazolinyl arylsulfonyl urea PORTOLA PHARM INC (US) 2006-11-15 CN 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-20130289274-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 NR1H4 1369/4885HDAC1 1414/4885L3MBTL1 4608/4885
US-20170129873-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 NR1H4 1369/4885HDAC1 1414/4885L3MBTL1 4608/4885
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 NR1H4 1369/4885HDAC1 1414/4885L3MBTL1 4608/4885
US-20180118713-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 NR1H4 1369/4885HDAC1 1414/4885L3MBTL1 4608/4885
US-20150291555-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 NR1H4 1369/4885HDAC1 1414/4885L3MBTL1 4608/4885

“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.