SCHEMBL3654152

SCHEMBL3654152

COC(=O)c1ccc(C(N)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.38
NR3C2 P08235 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
ADRB2 P07550 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3651078 0.91 SIRT6 (0.45) VCAM1NR3C2SIRT6PDGFRBFGFR1
SCHEMBL27801149 0.88 HSD17B10 (0.41) ADRB2ALDH1A1MAPTHPGDTDP1
SCHEMBL11084944 0.83 ADRB2 (0.51) ADRB2ALDH1A1MAPTHPGDGAA
SCHEMBL27821924 0.81 DTYMK (0.45) ALDH1A1HPGDGSTP1GSTM2TDP1
SCHEMBL12231302 0.80 APP (0.42) ALDH1A1MAPTHPGDGAATDP1
SCHEMBL1830457 0.80 ATR (0.41) ADRB2ALDH1A1MAPTHPGDGAA
SCHEMBL27341017 0.79 ADRB2 (0.39) ADRB2ALDH1A1MAPTNPSR1HPGD
SCHEMBL6141363 0.79 KDM4E (0.48) ALDH1A1MAPTNPSR1HPGDGAA
SCHEMBL4888724 0.78 MAPT (0.45) VCAM1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL6629348 0.78 APP (0.42) ADRB2ALDH1A1MAPTHPGDGAA

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 12 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
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
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 VCAM1 4855/4885NR3C2 1745/4885SIRT6 243/4885
US-20170129873-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 VCAM1 4855/4885NR3C2 1745/4885SIRT6 243/4885
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 VCAM1 4855/4885NR3C2 1745/4885SIRT6 243/4885
US-20180118713-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 VCAM1 4855/4885NR3C2 1745/4885SIRT6 243/4885
US-20150291555-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 VCAM1 4855/4885NR3C2 1745/4885SIRT6 243/4885

“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.