SCHEMBL8698196

SCHEMBL8698196

Nc1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 6/20 0.48
HIF1A Q16665 1/20 0.48
VCAM1 P19320 1/20 0.46
MAPT P10636 5/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
ESPL1 Q14674 1/20 0.44
GPR35 Q9HC97 1/20 0.41
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 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
SCHEMBL500039 0.91 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL17580458 0.89 ALDH1A1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29595940 0.89 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL30110723 0.89 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL3990674 0.89 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL564506 0.89 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL14247146 0.87 MAPT (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL8095561 0.87 MAPT (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL4670199 0.86 TDP1 (0.62) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29665784 0.84 MAPT (0.52) TDP1ATMALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522870-B2 2,5-disubstituted-1,4-diaminobenzenes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-12-20 US claimed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US claimed
JP-63310850-A None JP disclosed
US-20240389591-A1 CRYSTALLINE FORMS OF METHYL 2-[2-[2-BROMO-4-FLUORO-5-[3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)PYRIMIDIN-1-YL]PHENOXY]PHENOXY]-2-METHOXY-ACETATE BASF SE (DE) 2024-11-28 US disclosed
CN-112513141-B Polymer for use in electronic devices 杜邦电子公司 2024-01-05 CN disclosed
US-20230157289-A1 HERBICIDAL PHENYLURACILS BASF SE (DE) 2023-05-25 US disclosed
WO-2023030935-A1 METHOD FOR CONTROLLING PPO-I RESISTANT WEEDS BASF SE (DE) 2023-03-09 WO disclosed
WO-2023030916-A1 CRYSTALLINE FORMS OF METHYL 2-[2-[2-BROMO-4-FLUORO-5-[3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)PYRIMIDIN-1-YL]PHENOXY]PHENOXY]-2-METHOXY-ACETATE BASF SE (DE) 2023-03-09 WO disclosed
CN-115244035-A Herbicidal phenyluracils 巴斯夫欧洲公司 2022-10-25 CN disclosed
CN-112513141-A Polymers for use in electronic devices 杜邦电子公司 2021-03-16 CN disclosed
US-9522870-B2 2,5-disubstituted-1,4-diaminobenzenes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-12-20 US disclosed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US disclosed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US disclosed
US-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2013-09-12 US disclosed
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed
US-5310724-A Pre- and postemergence; plant growth regulators FMC CORPORATION (US) 1994-05-10 US disclosed
US-5108486-A Herbicides KANAGAWA CHEMICAL LABORATORY, LTD. (JP) 1992-04-28 US disclosed
JP-S63310850-A 2,5-DIFLUOROPHENOL DERIVATIVE SAGAMI CHEM RES CENTER 1988-12-19 JP disclosed
US-4725283-A NITROBENZENE DIRECT DYES FOR HUMAN HAIR L'OREAL (FR) 1988-02-16 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 (3 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-20130237725-A1 2,5-DISUBSTITUTED-1,4-DIAMINOBENZENES DDT, PARP2, DDX42 TDP1 777/4885ATM 1159/4885ALDH1A1 143/4885
US-20240389591-A1 CRYSTALLINE FORMS OF METHYL 2-[2-[2-BROMO-4-FLUORO-5-[3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)PYRIMIDIN-1-YL]PHENOXY]PHENOXY]-2-METHOXY-ACETATE PML, RCC1, MAP2 TDP1 1717/4885ATM 2921/4885ALDH1A1 1747/4885
US-20230157289-A1 HERBICIDAL PHENYLURACILS PFAS, DDT, DPYD TDP1 824/4885ATM 3875/4885ALDH1A1 16/4885

“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.