SCHEMBL13858827

SCHEMBL13858827

[O]c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.67
▸ ATM Q13315 1/20 0.67
▸ HIF1A Q16665 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ VCAM1 P19320 1/20 0.46
▸ TSHR P16473 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ ESPL1 Q14674 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSPB1 P04792 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TTR P02766 1/20 0.37

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
SCHEMBL29385912 0.80 TDP1 (1.00) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL57112 0.80 TDP1 (1.00) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL9225061 0.79 TSHR (0.58) TDP1ATMHIF1AALDH1A1TSHR
SCHEMBL1637306 0.78 ALDH1A1 (0.70) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL31121788 0.78 TDP1 (0.96) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL31474855 0.78 ALDH1A1 (0.70) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL6619 0.77 TDP1 (0.64) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL247992 0.77 TSHR (0.67) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL29348 0.77 MAPK1 (0.64) TDP1ATMHIF1AALDH1A1VCAM1
SCHEMBL375963 0.77 TDP1 (0.64) TDP1ATMHIF1AALDH1A1VCAM1

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-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GLYCOM A/S (DK) 2015-07-02 — — US disclosed
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2015-07-02 — — US disclosed
EP-2864492-A1 MODIFIED GALACTOOLIGOSACCHARIDES Glycom A/S (DK) 2015-04-29 — — EP disclosed
EP-2864344-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK 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 4493/4885HIF1A 4421/4885
US-11713314-B2 Disubstituted diaryloxybenzoheterodiazole compounds SCO2, NR3C2, CBR3 TDP1 4767/4885ATM 4819/4885HIF1A 2754/4885
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GALE, SI, FUT6 TDP1 1742/4885ATM 4770/4885HIF1A 4462/4885
US-11208406-B2 Disubstituted diaryloxybenzoheterodiazole compounds NR2E3, SCLY, NR2C2 TDP1 4751/4885ATM 4627/4885HIF1A 2754/4885
US-20220165959-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS LSS, DDC, HLCS TDP1 4415/4885ATM 3478/4885HIF1A 2744/4885
US-11706979-B2 Disubstituted diaryloxybenzoheterodiazole compounds SCLY, NR2E3, CDK15 TDP1 4805/4885ATM 4493/4885HIF1A 4421/4885
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES FUT6, GALE, FUT5 TDP1 2508/4885ATM 3892/4885HIF1A 2627/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 TDP1 2493/4885ATM 4067/4885HIF1A 3833/4885

“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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