SCHEMBL3657503

SCHEMBL3657503

CC(C)(C)OC(=O)C(N)c1ccc(C(=O)O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.46
TDP1 Q9NUW8 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.46
GRM4 Q14833 1/20 0.46
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 7/20 0.44
HPGD P15428 5/20 0.44
GRM1 Q13255 4/20 0.44
GRM2 Q14416 2/20 0.44
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3651392 0.89 TDP1 (0.46) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL1205124 0.88 HSD17B10 (0.61) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL11085866 0.85 APP (0.36) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL1018438 0.84 HSD17B10 (0.45) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL27472748 0.84 HSD17B10 (0.45) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL27878879 0.82 HSD17B10 (0.45) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL27801149 0.80 HSD17B10 (0.41) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL27637298 0.78 APP (0.40) HSD17B10KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL27801161 0.78 HSD17B10 (0.40) HSD17B10TDP1KMT2AMEN1CYP2C9
SCHEMBL6141363 0.78 KDM4E (0.48) HSD17B10TDP1KMT2AMEN1CYP2C9

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-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-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-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

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 HSD17B10 1438/4885TDP1 1051/4885KMT2A 4605/4885
US-20170129873-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 HSD17B10 1438/4885TDP1 1051/4885KMT2A 4605/4885
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 HSD17B10 1438/4885TDP1 1051/4885KMT2A 4605/4885
US-20180118713-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 HSD17B10 1438/4885TDP1 1051/4885KMT2A 4605/4885
US-20150291555-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 HSD17B10 1438/4885TDP1 1051/4885KMT2A 4605/4885

“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.