SCHEMBL474132

SCHEMBL474132

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CDC25B P30305 1/20 0.53
CASP6 P55212 1/20 0.53
RCE1 Q9Y256 1/20 0.53
HDAC1 Q13547 2/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 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
NR1H4 Q96RI1 3/20 0.42
KDM4A O75164 1/20 0.42
EPHX2 P34913 1/20 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
SCHEMBL3657504 0.89 NR1H4 (0.45) HDAC1GAATSHRL3MBTL1GRM2
SCHEMBL134817 0.88 ALDH1A1 (0.61) ALDH1A1HDAC1GAAKDM4ETSHR
SCHEMBL30910306 0.87 NR1H4 (0.48) HDAC1GAATSHRL3MBTL1GRM2
SCHEMBL1205128 0.87 NR1H4 (0.48) HDAC1GAATSHRL3MBTL1GRM2
SCHEMBL30901987 0.86 NR1H4 (0.50) HDAC1GAATSHRL3MBTL1GRM2
SCHEMBL14979282 0.86 NR1H4 (0.50) HDAC1GAATSHRL3MBTL1GRM2
SCHEMBL7407052 0.86 HDAC1 (0.48) HDAC1GAATSHRL3MBTL1GRM2
SCHEMBL8417822 0.85 HDAC1 (0.53) HDAC1GAAL3MBTL1NAMPTCA1
SCHEMBL1671124 0.84 TSHR (0.55) HDAC1GAATSHRHPGDL3MBTL1
SCHEMBL6625230 0.84 NR1H4 (0.50) HDAC1GAATSHRL3MBTL1GRM2

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 24 patents — showing the first 20. 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
EP-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP 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
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP 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-2416777-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-15 EP disclosed
EP-2411009-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-01 EP 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
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed
WO-2010109148-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
EP-2205593-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2010-07-14 EP 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
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 WO 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

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-20170129873-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 ALDH1A1 1566/4885CDC25B 750/4885CASP6 114/4885
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 ALDH1A1 1566/4885CDC25B 750/4885CASP6 114/4885
US-20180118713-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 ALDH1A1 1566/4885CDC25B 750/4885CASP6 114/4885
US-20150291555-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 ALDH1A1 1566/4885CDC25B 750/4885CASP6 114/4885

“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.