SCHEMBL283121

SCHEMBL283121

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
NR3C2 P08235 1/20 0.42
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
ABCC4 O15439 2/20 0.41
CACNA1F O60840 2/20 0.41
ABCB11 O95342 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
OPRM1 P35372 2/20 0.41
SCN1A P35498 2/20 0.41
HTR2B P41595 2/20 0.41
CACNA1D Q01668 2/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
SCN5A Q14524 2/20 0.41

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
SCHEMBL7861819 0.80 ALDH1A1 (0.42) ALDH1A1NR3C2MAPTTDP1CYP1A2
SCHEMBL11332004 0.78 SMN1; SMN2 (0.43) ALDH1A1NR3C2MAPTTDP1ABCC4
SCHEMBL17335345 0.76 ALDH1A1 (0.43) ALDH1A1NR3C2MAPTTDP1LMNA
SCHEMBL11398188 0.76 TDP1 (0.56) ALDH1A1MAPTTDP1ABCC4CACNA1F
SCHEMBL4024203 0.76 ALDH1A1 (0.51) ALDH1A1MAPTTDP1ABCC4CACNA1F
SCHEMBL27695016 0.76 ALDH1A1 (0.46) ALDH1A1MAPTTDP1ABCC4CACNA1F
SCHEMBL28195031 0.74 ALDH1A1 (0.42) ALDH1A1MAPTTDP1ABCC4CACNA1F
SCHEMBL27766677 0.74 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL3651078 0.74 SIRT6 (0.45) ALDH1A1NR3C2MAPTTDP1KDM4E
SCHEMBL3654152 0.74 VCAM1 (0.38) ALDH1A1NR3C2MAPTTDP1HPGD

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 ALDH1A1 1085/4885NR3C2 722/4885MAPT 2536/4885
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 ALDH1A1 2470/4885NR3C2 1743/4885MAPT 165/4885
US-20100093774-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF ALDH1A1 1085/4885NR3C2 722/4885MAPT 2536/4885
US-20170369471-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF ALDH1A1 1085/4885NR3C2 722/4885MAPT 2536/4885

“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.