SCHEMBL1398948

SCHEMBL1398948

CCOC(=O)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.46
TNF P01375 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL522710 0.83 PIN1 (0.62) RPS6KA2ALOX5ALDH1A1KDM4EL3MBTL1
SCHEMBL21051864 0.82 CA12 (0.49) CA12CA9ALOX5ALDH1A1KDM4E
SCHEMBL18485397 0.79 ALDH1A1 (0.50) CA12CA9ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5998421 0.79 RPS6KA2 (0.50) RPS6KA2CA12CA9ALOX5ALDH1A1
SCHEMBL916697 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL24413749 0.77 ALDH1A1 (0.55) RPS6KA2ALDH1A1KDM4ELMNAMAPT
SCHEMBL9127954 0.77 PIN1 (0.42) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL11318312 0.77 LMNA (0.49) CA12CA9ALDH1A1KDM4EL3MBTL1
SCHEMBL7849509 0.76 TNF (0.48) RPS6KA2CA12CA9ALDH1A1KDM4E
SCHEMBL27335622 0.76 ALDH1A1 (0.49) RPS6KA2CA12CA9ALDH1A1KDM4E

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224441-A Derivatives of 7-aminocephalosporanic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-09-23 US claimed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US claimed
EP-0925294-B3 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORP (US) 2018-07-04 EP disclosed
US-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS CELGENE CORPORATION 2016-04-07 US disclosed
EP-2859895-A1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORPORATION (US) 2015-04-15 EP disclosed
EP-2305663-B1 Substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimides and 1-oxoisoindolines and method of reducing TNF alpha levels CELGENE CORP (US) 2014-12-17 EP disclosed
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2014-07-03 US disclosed
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels CELGENE CORPORATION (US) 2013-01-31 US disclosed
US-8288415-B2 Pharmaceutical compositions of 3-(4-amino-1-oxoisoindolin-2yl)-piperidine-2,6-dione CELGENE CORPORATION (US) 2012-10-16 US disclosed
US-8158653-B2 Pharmaceutical compositions of 1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-4-amino isoindoline CELGENE CORPORATION (US) 2012-04-17 US disclosed
EP-2177517-B1 Amino substituted 2-(2,6-dioxopiperidin-3-yl)-phthalimide for reducing TNF alpha levels CELGENE CORP (US) 2011-10-26 EP disclosed
US-6476052-B1 Isoindolines, method of use, and pharmaceutical compositions CELGENE CORPORATION 2002-11-05 US disclosed
US-20020045643-A1 Isoindolines, method of use, and pharmaceutical compositions MULLER GEORGE W (US) 2002-04-18 US disclosed
US-6335349-B1 AGENTS THAT REDUCE LEVELS OF TUMOR NECROSIS FACTOR; ANTICARCINOGENIC AND ANTIINFLAMMATORY AGENTS; TREATMENT OF AUTOIMMUNE DISEASES CELGENE CORPORATION 2002-01-01 US disclosed
US-6316471-B1 TREATING INFLAMMATORY OR AUTOIMMUNE DISEASES CELGENE CORPORATION 2001-11-13 US disclosed
US-6281230-B1 TREATING INFLAMMATION, INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE IN A MAMMAL CELGENE CORPORATION 2001-08-28 US disclosed
EP-0925294-A1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 1999-06-30 EP disclosed
WO-1998003502-A1 SUBSTITUTED 2(2,6-DIOXOPIPERIDIN-3-YL)PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNF-ALPHA LEVELS CELGENE CORPORATION (US) 1998-01-29 WO disclosed
US-4224441-A Derivatives of 7-aminocephalosporanic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-09-23 US disclosed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US 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-20160096818-A1 SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)-PHTHALIMIDES AND -1-OXOISOINDOLINES AND METHOD OF REDUCING TNFALPHA LEVELS TNF, NFKBIA, TRAF2 RPS6KA2 776/4885CA12 3634/4885CA9 4479/4885
US-20140187584-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and -1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 RPS6KA2 776/4885CA12 3634/4885CA9 4479/4885
US-20020045643-A1 Isoindolines, method of use, and pharmaceutical compositions TNF, OPRK1, OPRD1 RPS6KA2 1188/4885CA12 4395/4885CA9 4768/4885
US-20130030021-A1 Substituted 2-(2,6-Dioxopiperidin-3-yl)-phthalimides and 1-Oxoisoindolines and Method of Reducing TNFalpha Levels TNF, NFKBIA, TRAF2 RPS6KA2 805/4885CA12 3578/4885CA9 4464/4885

“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.