Sugi Predict

Sugi Predict / Compounds / SCHEMBL3652014

SCHEMBL3652014

SCHEMBL3652014

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ 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 5/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SLC10A6 Q3KNW5 1/20 0.35
▸ GAA P10253 1/20 0.34

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
SCHEMBL3651785 0.91 SMN1; SMN2 (0.38) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL3652011 0.88 SIRT6 (0.46) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL1323601 0.87 SIRT6 (0.46) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL31529375 0.79 SMN1; SMN2 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL283205 0.79 SMN1; SMN2 (0.40) TDP1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3651782 0.79 SMN1; SMN2 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8301315 0.79 SIRT6 (0.53) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL135312 0.77 KMT2A (0.47) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL31305194 0.77 KMT2A (0.47) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL297962 0.77 SIRT6 (0.49) 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.