SCHEMBL13858880

SCHEMBL13858880

[O]c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.67
▸ ATM Q13315 1/20 0.67
▸ HSPB1 P04792 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ TSHR P16473 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ VCAM1 P19320 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ TTR P02766 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL216553 0.82 TDP1 (0.72) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL29745239 0.82 TDP1 (0.72) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL29385912 0.80 TDP1 (1.00) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL57112 0.80 TDP1 (1.00) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL31121788 0.78 TDP1 (0.96) TDP1ATMHSPB1ALDH1A1HIF1A
Benzene SCHEMBL27678346 0.78 TDP1 (0.67) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL40024 0.77 TDP1 (0.64) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL39862 0.77 TDP1 (0.64) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL22031650 0.77 TDP1 (0.64) TDP1ATMHSPB1ALDH1A1HIF1A
SCHEMBL6368 0.77 TDP1 (0.64) TDP1ATMHSPB1ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113260691-B Luminescent solar concentrator comprising dithienyl pyridine thiadiazole compound 艾尼股份公司 2024-02-09 — — CN disclosed
US-11713314-B2 Disubstituted diaryloxybenzoheterodiazole compounds ENI S.P.A. (IT) 2023-08-01 — — US disclosed
US-11706979-B2 Disubstituted diaryloxybenzoheterodiazole compounds ENI S.P.A. (IT) 2023-07-18 — — US disclosed
EP-3737678-B1 PROCESS FOR THE PREPARATION OF DISUBSTITUTED DIARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2022-06-29 — — EP disclosed
US-20220165959-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.P.A. (IT) 2022-05-26 — — US disclosed
EP-3941995-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.p.A. (IT) 2022-01-26 — — EP disclosed
US-20210408393-A1 Disubstituted Diaryloxybenzoheterodiazole Compounds ENI S.P.A. (IT) 2021-12-30 — — US disclosed
US-11208406-B2 Disubstituted diaryloxybenzoheterodiazole compounds ENI S.P.A. (IT) 2021-12-28 — — US disclosed
CN-113840824-A Disubstituted fluoroaryloxybenzoheterodiazole compounds 艾尼股份公司 2021-12-24 — — CN disclosed
EP-3898889-A1 LUMINESCENT SOLAR CONCENTRATOR COMPRISING DITHIENYLPYRIDINETHIADIAZOLE COMPOUNDS ENI S.p.A. (IT) 2021-10-27 — — EP disclosed
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2015-07-02 — — US disclosed
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GLYCOM A/S (DK) 2015-07-02 — — US disclosed
EP-2864344-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK Glycom A/S (DK) 2015-04-29 — — EP disclosed
EP-2864492-A1 MODIFIED GALACTOOLIGOSACCHARIDES Glycom A/S (DK) 2015-04-29 — — EP disclosed
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2014-08-21 — — US disclosed
EP-2707493-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF Glycom A/S (DK) 2014-03-19 — — EP disclosed
WO-2013190529-A1 GLYCOSYLATED GALACTOSYL DISACCHARDDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 — — WO disclosed
WO-2013190531-A1 GLYCOSYLATED GALACTOSYL DISACCHARIDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 — — WO disclosed
WO-2013190530-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2013-12-27 — — WO disclosed
WO-2012156897-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2012-11-22 — — WO 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 (8 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-20210408393-A1 Disubstituted Diaryloxybenzoheterodiazole Compounds SCLY, NR2E3, CDK15 TDP1 4805/4885ATM 4493/4885HSPB1 3984/4885
US-11713314-B2 Disubstituted diaryloxybenzoheterodiazole compounds SCO2, NR3C2, CBR3 TDP1 4767/4885ATM 4819/4885HSPB1 3968/4885
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GALE, SI, FUT6 TDP1 1742/4885ATM 4770/4885HSPB1 3228/4885
US-11208406-B2 Disubstituted diaryloxybenzoheterodiazole compounds NR2E3, SCLY, NR2C2 TDP1 4751/4885ATM 4627/4885HSPB1 3506/4885
US-20220165959-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS LSS, DDC, HLCS TDP1 4415/4885ATM 3478/4885HSPB1 4538/4885
US-11706979-B2 Disubstituted diaryloxybenzoheterodiazole compounds SCLY, NR2E3, CDK15 TDP1 4805/4885ATM 4493/4885HSPB1 3984/4885
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES FUT6, GALE, FUT5 TDP1 2508/4885ATM 3892/4885HSPB1 3787/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 TDP1 2493/4885ATM 4067/4885HSPB1 2262/4885

“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.

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