SCHEMBL283204

SCHEMBL283204

COC(=O)c1c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
PLIN1 O60240 1/20 0.39
CACNA1F O60840 1/20 0.39
GMNN O75496 1/20 0.39
KCNK2 O95069 1/20 0.39
ABCB11 O95342 1/20 0.39
GSR P00390 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL283205 0.88 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1ALDH1A1TDP1KDM4E
SCHEMBL6677458 0.84 ALDH1A1 (0.41) NPSR1ALDH1A1TDP1MAPTLMNA
SCHEMBL6676029 0.84 TDP1 (0.46) SMN1; SMN2NPSR1ALDH1A1TDP1KMT2A
SCHEMBL6679943 0.82 NR1D1 (0.40) SMN1; SMN2NPSR1ALDH1A1CYP3A4CYP2D6
SCHEMBL283122 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1ALDH1A1TDP1KDM4E
SCHEMBL11332004 0.81 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1ALDH1A1TDP1KDM4E
SCHEMBL24861312 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPSR1ALDH1A1TDP1KDM4E
SCHEMBL26977894 0.80 NQO2 (0.52) SMN1; SMN2NPSR1ALDH1A1TDP1KDM4E
SCHEMBL7876745 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL28196232 0.79 TDP1 (0.44) SMN1; SMN2NPSR1ALDH1A1TDP1KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369471-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2017-12-28 US disclosed
EP-3239144-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS Celgene Corporation (US) 2017-11-01 EP disclosed
US-9732064-B2 5-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-08-15 US disclosed
EP-2420498-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2017-05-31 EP disclosed
EP-2428513-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2017-05-31 EP disclosed
EP-2420497-B1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORP (US) 2015-12-16 EP disclosed
US-20150080419-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2015-03-19 US disclosed
US-8921385-B2 5-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-12-30 US disclosed
EP-2066656-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTITUMOR AGENTS CELGENE CORP (US) 2012-04-25 EP disclosed
EP-2428513-A1 5-substituted quinazolinone derivatives as anti-cancer agents Celgene Corporation (US) 2012-03-14 EP disclosed
EP-2420497-A1 5-substituted quinazolinone derivatives as anti-cancer agents CELGENE CORPORATION (US) 2012-02-22 EP disclosed
EP-2420498-A1 5-substituted quinazolinone derivatives as anti-cancer agents Celgene Corporation (US) 2012-02-22 EP disclosed
US-20100093774-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION. 2010-04-15 US disclosed
US-7635700-B2 e.g. 3-(5-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE; cytokine (epidermal/fibroblast/endothelial/tumor necrosis growth factors) antagonist; antitumor, antiinflammatory agent, neurodegenerative diseases CELGENE CORPORATION (US) 2009-12-22 US disclosed
EP-2066656-A2 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTITUMOR AGENTS CELGENE CORPORATION (US) 2009-06-10 EP disclosed
US-20080161328-A1 e.g. 3-(5-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE; cytokine (epidermal/fibroblast/endothelial/tumor necrosis growth factors) antagonist; antitumor, antiinflammatory agent, neurodegenerative diseases CELGENE CORPORATION 2008-07-03 US disclosed
WO-2008039489-A2 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AS ANTITUMOR AGENTS CELGENE CORPORATION (US) 2008-04-03 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-20150080419-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF SMN1; SMN2 4610/4885NPSR1 771/4885ALDH1A1 1085/4885
US-20080161328-A1 e.g. 3-(5-METHYL-4-OXO-4H-QUINAZOLIN-3-YL)-PIPERIDINE-2,6-DIONE; cytokine (epidermal/fibroblast/endothelial/tumor necrosis growth factors) antagonist; antitumor, antiinflammatory agent, neurodegenerative diseases FGF2, TNF, FGF1 SMN1; SMN2 1188/4885NPSR1 1030/4885ALDH1A1 2470/4885
US-20100093774-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF SMN1; SMN2 4610/4885NPSR1 771/4885ALDH1A1 1085/4885
US-20170369471-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF SMN1; SMN2 4610/4885NPSR1 771/4885ALDH1A1 1085/4885

“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.