Sugi Predict

Sugi Predict / Compounds / SCHEMBL3652011

SCHEMBL3652011

SCHEMBL3652011

COC(=O)c1cc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL3651782 0.91 SMN1; SMN2 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31529375 0.91 SMN1; SMN2 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1323601 0.90 SIRT6 (0.46) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL3652014 0.88 SIRT6 (0.44) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL8301315 0.81 SIRT6 (0.53) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL31305194 0.80 KMT2A (0.47) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL135312 0.80 KMT2A (0.47) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL13162823 0.79 SIRT6 (0.51) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL3651785 0.79 SMN1; SMN2 (0.38) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL31110140 0.79 SIRT6 (0.46) SIRT6TDP1PDGFRBFGFR1PDGFRA

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 SIRT6 243/4885TDP1 1051/4885PDGFRB 3647/4885
US-20170129873-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 SIRT6 243/4885TDP1 1051/4885PDGFRB 3647/4885
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 SIRT6 243/4885TDP1 1051/4885PDGFRB 3647/4885
US-20180118713-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 SIRT6 243/4885TDP1 1051/4885PDGFRB 3647/4885
US-20150291555-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 SIRT6 243/4885TDP1 1051/4885PDGFRB 3647/4885

“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.