SCHEMBL283122

SCHEMBL283122

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
PTPN1 P18031 2/20 0.42
NQO2 P16083 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KCNA5 P22460 2/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
KDM4A O75164 1/20 0.39
POLB P06746 1/20 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

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
SCHEMBL282680 0.89 TDP1 (0.48) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL26977894 0.88 NQO2 (0.52) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL2061145 0.85 NPC1 (0.54) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL27276236 0.84 NPC1 (0.45) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL283204 0.82 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1NPSR1KCNA5
SCHEMBL2381485 0.81 KCNA5 (0.49) NQO2KCNA5KDM4AALDH1A1LMNA
SCHEMBL27477065 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL6674887 0.81 NPC1 (0.43) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL2061925 0.81 NPC1 (0.47) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL283205 0.80 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1NPSR1KCNA5

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 18 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
CN-107445940-A Quinzolone derivatives as 5 substitutions of antitumor agent 细胞基因公司 2017-12-08 CN 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 4610/4885KMT2A 4830/4885NPC1 1307/4885
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 1188/4885KMT2A 4212/4885NPC1 2164/4885
US-20100093774-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF SMN1; SMN2 4610/4885KMT2A 4830/4885NPC1 1307/4885
US-20170369471-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, IL6, PGF SMN1; SMN2 4610/4885KMT2A 4830/4885NPC1 1307/4885

“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.