SCHEMBL1949999

SCHEMBL1949999

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
CES1 P23141 1/20 0.51
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP4 P49662 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TNF P01375 1/20 0.48

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
SCHEMBL28819780 0.84 TNF (0.53) PTPRCS100A4ACHEBCHECES1
SCHEMBL11285711 0.83 CA12 (0.54) PTPRCS100A4ACHEBCHECES1
SCHEMBL12284808 0.81 CA12 (0.52) PTPRCS100A4ACHEBCHECES1
SCHEMBL516995 0.81 CASP1 (0.63) PTPRCS100A4ACHEBCHECES1
SCHEMBL29945629 0.81 CASP1 (0.63) PTPRCS100A4ACHEBCHECES1
SCHEMBL28488925 0.81 ALDH1A1 (0.51) PTPRCS100A4ACHEBCHECES1
SCHEMBL14648870 0.80 CA12 (0.48) PTPRCS100A4ACHEBCHECES1
SCHEMBL12284588 0.80 CA12 (0.48) PTPRCS100A4ACHEBCHECES1
SCHEMBL23250129 0.80 CASP3 (0.66) PTPRCS100A4ACHEBCHECES1
SCHEMBL29012534 0.80 CA9 (0.57) PTPRCS100A4ACHEBCHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920685-B Continuous synthesis method of N-alkyl-4-nitrophthalimide 上海华谊(集团)公司 2024-07-02 CN disclosed
CN-116903517-A Preparation method of 4-nitro-N-alkylphthalimide 广东优巨先进新材料股份有限公司 2023-10-20 CN disclosed
CN-114920685-A Continuous synthesis method of N-alkyl-4-nitrophthalimide 上海华谊(集团)公司 2022-08-19 CN disclosed
EP-2438044-B1 COMPOUNDS JAPAN TOBACCO INC (JP) 2019-01-23 EP disclosed
US-8399481-B2 Compounds XENTION LTD (GB) 2013-03-19 US disclosed
EP-2438044-A1 COMPOUNDS Xention Limited (GB) 2012-04-11 EP disclosed
US-20110136859-A1 Compounds XENTION LTD. (GB) 2011-06-09 US disclosed
WO-2010139953-A1 COMPOUNDS XENTION LIMITED (GB) 2010-12-09 WO disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
EP-1047672-B1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES CIBA SC HOLDING AG (CH) 2005-06-22 EP disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1047672-A1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES Ciba SC Holding AG (CH) 2000-11-02 EP disclosed
US-6087480-A Process for preparing sparingly soluble aromatic amines CIBA SPECIALTY CHEMCALS CORPORATION (US) 2000-07-11 US disclosed
WO-1999036402-A1 PROCESS FOR PREPARING SPARINGLY SOLUBLE AROMATIC AMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-07-22 WO disclosed
US-4005102-A METHYLENE CHLORIDE, NITRIC AND SULFURIC ACIDS GENERAL ELECTRIC COMPANY (US) 1977-01-25 US disclosed
US-3981933-A SULFURIC ACID, NITRIC ACID, TOLUENE IN METHYLENE CHLORIDE GENERAL ELECTRIC COMPANY (US) 1976-09-21 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PTPRC 3004/4885S100A4 4607/4885ACHE 3981/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR PTPRC 3004/4885S100A4 4607/4885ACHE 3981/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PTPRC 3004/4885S100A4 4607/4885ACHE 3981/4885
US-20110136859-A1 Compounds CYP2C8, CYP3A7, CYP2A7 PTPRC 2142/4885S100A4 4591/4885ACHE 1655/4885

“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.