SCHEMBL8917238

SCHEMBL8917238

O=C1COc2cc(F)c([N+](=O)[O-])cc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.44
MMP12 P39900 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PGR P06401 3/20 0.39
NR3C1 P04150 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
SCHEMBL30090142 1.00 NR3C2 (0.44) NR3C2MMP12RAB9AMAPTPOLB
SCHEMBL15798567 0.84 POLB (0.39) NR3C2RAB9AMAPTPOLBALDH1A1
SCHEMBL8302706 0.82 MMP12 (0.51) MMP12RAB9AMAPTPOLBALDH1A1
SCHEMBL4049030 0.81 MMP12 (0.54) NR3C2MMP12MAPTALDH1A1PARP1
SCHEMBL23110674 0.80 AKR1B1 (0.48) MAPTALDH1A1AKR1B1MAPK1SMN1; SMN2
SCHEMBL30090065 0.80 AKR1B1 (0.48) MAPTALDH1A1AKR1B1MAPK1SMN1; SMN2
SCHEMBL8304719 0.80 MMP12 (0.46) NR3C2MMP12RAB9AMAPTPOLB
SCHEMBL8309098 0.80 PARP1 (0.52) NR3C2MMP12RAB9AMAPTPOLB
SCHEMBL8307636 0.79 MMP12 (0.51) MMP12RAB9AMAPTPOLBPARP1
SCHEMBL10505987 0.79 RAB9A (0.46) NR3C2MMP12RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119500034-A Dynamic tubular reactor and process for preparing flumioxazin 甘肃联凯生物科技有限公司 2025-02-25 CN claimed
WO-2014122674-A1 PROCESS FOR PREPARATION OF DERIVATIVES OF TETRAHYDROPHTHALIMIDE RALLIS INDIA LIMITED (IN) 2014-08-14 WO claimed
JP-61140571-A None JP disclosed
CN-119500034-A Dynamic tubular reactor and process for preparing flumioxazin 甘肃联凯生物科技有限公司 2025-02-25 CN disclosed
CN-117378617-A Flumioxazin herbicide and preparation method thereof 甘肃联凯生物科技有限公司 2024-01-12 CN disclosed
WO-2023247976-A1 DEUTERATED HERBICIDES BASED ON OXAZINONES AND 6-(TRIFLUOROMETHYL)PYRIMIDINE-2,4-DIONES REDAG CROP PROTECTION LTD (GB) 2023-12-28 WO disclosed
CN-112480101-B IRAK4 kinase inhibitor, preparation and application thereof 中国科学院上海药物研究所 2022-11-25 CN disclosed
CN-109836393-B Cyclohexene carboxylate compound and application thereof 沈阳中化农药化工研发有限公司 2022-11-15 CN disclosed
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
WO-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 WO disclosed
EP-0263299-B1 BENZOXAZINES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-11-07 EP disclosed
EP-0170191-B1 TETRAHYDROPHTALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-23 EP disclosed
US-4880925-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1989-11-14 US disclosed
US-4804394-A Benzoxazines and use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-02-14 US disclosed
US-4792605-A TETRAHYDROPHTHALIMIDES; HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1988-12-20 US disclosed
EP-0263299-A1 Benzoxazines NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-04-13 EP disclosed
US-4640707-A Tetrahydrophthalimides and their herbicidal use SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1987-02-03 US disclosed
JP-S61140571-A NITROBENZOXAZINE DERIVATIVE, AND PREPARATION THEREOF SUMITOMO CHEM CO LTD 1986-06-27 JP disclosed
EP-0170191-A2 Tetrahydrophtalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-05 EP 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 (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-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 NR3C2 2502/4885MMP12 4115/4885RAB9A 3146/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 NR3C2 2477/4885MMP12 3773/4885RAB9A 3221/4885

“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.