SCHEMBL284027

SCHEMBL284027

O=C1NC(=O)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
S100A4 P26447 2/20 0.61
POLB P06746 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
PTPRC P08575 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
MCL1 Q07820 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
GSK3B P49841 3/20 0.50
TDP1 Q9NUW8 4/20 0.45
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44

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
SCHEMBL30050991 1.00 SMN1; SMN2 (0.61) SMN1; SMN2S100A4POLBKMT2AMEN1
Methane SCHEMBL28163541 0.98 SMN1; SMN2 (0.60) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL28012557 0.98 SMN1; SMN2 (0.60) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL9453359 0.88 POLB (0.58) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL11669701 0.84 S100A4 (0.56) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL29260825 0.84 SMN1; SMN2 (0.48) SMN1; SMN2S100A4POLBKMT2AMEN1
Ethoxycarbonyl Group SCHEMBL28473867 0.83 SMN1; SMN2 (0.47) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL1049963 0.80 PARP1 (0.56) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL9453357 0.78 SMN1; SMN2 (0.51) SMN1; SMN2S100A4POLBKMT2AMEN1
SCHEMBL27307007 0.78 ALDH1A1 (0.58) SMN1; SMN2S100A4POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118995043-B Polymer insulation coating material for high-voltage transmission line and preparation method thereof 河北冀特电气有限公司 2024-12-27 CN claimed
CN-119076058-A Carbon intercalation iron phthalocyanine heterogeneous junction and preparation method and application thereof 南京大学 2024-12-06 CN claimed
CN-118995043-A Polymer insulation coating material for high-voltage transmission line and preparation method thereof 河北冀特电气有限公司 2024-11-22 CN claimed
US-20240383909-A1 CO-CRYSTALS INTRA-CELLULAR THERAPIES, INC. 2024-11-21 US claimed
CN-118496072-A Method for preparing 2-butanone by biomimetic catalytic oxidation of n-butane 浙江工业大学 2024-08-16 CN claimed
US-20240228475-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE CELGENE CORPORATION 2024-07-11 US claimed
EP-4395767-A2 CO-CRYSTALS Intra-Cellular Therapies, Inc. (US) 2024-07-10 EP claimed
CN-118146084-A Method for preparing benzoic acid and coproducing epsilon-caprolactone by biomimetically catalyzing air to oxidize toluene and cyclohexanone 广西大学 2024-06-07 CN claimed
EP-4359380-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL) METHYL)BENZYL) AMINO)ISOINDOLINE-1,3-DIONE Celgene Corporation (US) 2024-05-01 EP claimed
CN-117645638-A Fullerene derivative, and preparation method and application thereof 中国科学院化学研究所 2024-03-05 CN claimed
WO-1985002613-A1 DESTRUCTION OF DNPI IN AN ALL NITRIC ACID NITRATION PROCESS GENERAL ELECTRIC COMPANY (US) 1985-06-20 WO claimed
US-4455431-A Method for making bis-etherphthalimides GENERAL ELECTRIC COMPANY (US) 1984-06-19 US claimed
US-4308341-A PROVIDING ISOINDOZE DYES BY REACTION OF COBALT AMINE LIGANDS AND AROMATIC DIALDEHYDES EASTMAN KODAK COMPANY (US) 1981-12-29 US claimed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US claimed
US-4054577-A Preparation of aromatic bisimides GENERAL ELECTRIC COMPANY (US) 1977-10-18 US claimed
US-4020069-A FROM BISPHENOL A AND A NITRO-PHTHALIMIDE, HYDROLYSIS GENERAL ELECTRIC COMPANY (US) 1977-04-26 US claimed
US-4017511-A Preparation of aromatic bisimides GENERAL ELECTRIC COMPANY (US) 1977-04-12 US claimed
US-3992406-A Preparation of aromatic bisimides GENERAL ELECTRIC COMPANY (US) 1976-11-16 US claimed
US-3957862-A FROM A NITRO-PHTHALIMIDE AND ALKALI DIPHENOXIDE GENERAL ELECTRIC COMPANY (US) 1976-05-18 US claimed
US-3933852-A Process for making N-methyl nitrophthalimides GENERAL ELECTRIC COMPANY (US) 1976-01-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20240383909-A1 CO-CRYSTALS NT5C3B, PRNP, MTAP SMN1; SMN2 4001/4885S100A4 1111/4885POLB 3169/4885
US-20240228475-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE AQP1, AQP3, ADH1C SMN1; SMN2 738/4885S100A4 3456/4885POLB 601/4885

“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.