SCHEMBL4753199

SCHEMBL4753199

COC(=O)c1ccc([N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.60
SIRT6 Q8N6T7 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AR P10275 1/20 0.51
PELP1 Q8IZL8 1/20 0.51
PKM P14618 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50

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
SCHEMBL31548461 0.90 CASP6 (0.60) VCAM1SIRT6TDP1LMNAHPGD
SCHEMBL2722165 0.90 CASP6 (0.60) VCAM1SIRT6TDP1LMNAHPGD
SCHEMBL1353346 0.90 VCAM1 (0.57) VCAM1SIRT6LMNAHPGDALDH1A1
SCHEMBL1932039 0.89 SIRT6 (0.53) VCAM1SIRT6TDP1LMNAALDH1A1
SCHEMBL30304316 0.89 VCAM1 (0.56) VCAM1SIRT6TDP1LMNAHPGD
SCHEMBL11330293 0.89 VCAM1 (0.56) VCAM1SIRT6LMNAHPGDALDH1A1
SCHEMBL2722007 0.88 VCAM1 (0.56) VCAM1SIRT6TDP1LMNAHPGD
SCHEMBL19046539 0.88 VCAM1 (0.55) VCAM1SIRT6LMNAHPGDALDH1A1
SCHEMBL559830 0.87 VCAM1 (0.64) VCAM1LMNAHPGDALDH1A1KDM4E
SCHEMBL30525281 0.87 VCAM1 (0.64) VCAM1LMNAHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163400-B Cyclohexanedione-benzothiadiazine compound and application thereof 东莞市东阳光农药研发有限公司 2025-03-14 CN disclosed
CN-218230328-U Adjustable discharge capacity's receiving tank 山东沾化万源医化有限公司 2023-01-06 CN disclosed
CN-114163400-A Cyclohexanedione-benzothiadiazine compound and application thereof 东莞市东阳光农药研发有限公司 2022-03-11 CN disclosed
EP-3190104-B1 QUINOLINONE COMPOUND AND USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-10-27 EP disclosed
US-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker INTOCELL INC. (KR) 2021-07-20 US disclosed
CN-109503556-B Quinazoline-2, 4-diketone derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-07-07 CN disclosed
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker INTOCELL INC. (KR) 2019-10-31 US disclosed
CN-109503556-A Quinazoline -2,4- derovatives and its preparation method and application 东莞东阳光科研发有限公司 2019-03-22 CN disclosed
US-10065928-B2 Quinolinone compound and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-09-04 US disclosed
EP-3061755-B1 A TRIKETONE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANDONG CYNDA CHEMICAL CO LTD (CN) 2018-06-27 EP disclosed
EP-3061755-A1 A TRIKETONE COMPOUND AND PREPARATION METHOD AND USE THEREOF Shandong Cynda Chemical Co., LTD. (CN) 2016-08-31 EP disclosed
EP-3061755-A1 A TRIKETONE COMPOUND AND PREPARATION METHOD AND USE THEREOF Shandong Cynda Chemical Co., LTD. (CN) 2016-08-31 EP disclosed
CN-105384687-A Quinolinone compound and application thereof in drugs GUANGDONG HEC PHARMACEUTICAL 2016-03-09 CN disclosed
CN-104557739-A Triketone compound and preparation method and application thereof UNIV HUAZHONG NORMAL 2015-04-29 CN disclosed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed
EP-0879815-B1 Process for the preparation of the 5-nitro-isophthalic-di- C1-C4-alkyl esters BAYER AG (DE) 2000-11-02 EP disclosed
US-6002041-A Process for preparing di-C1 - C4 -alkyl 5-nitro-isophthalates BAYER AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
EP-0879815-A1 Process for the preparation of the 5-nitro-isophthalic-di- C1-C4-alkyl esters BAYER AG (DE) 1998-11-25 EP disclosed
US-4104280-A Dibenzo [b.f]thiepin and dibenzo[b.f]oxepin derivatives SYNTEX (U.S.A.) INC. (US) 1978-08-01 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-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker DDOST, B3GAT3, GALNT10 VCAM1 669/4885SIRT6 4038/4885TDP1 1893/4885
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker DDOST, B3GAT3, GALNT10 VCAM1 669/4885SIRT6 4038/4885TDP1 1893/4885
US-10065928-B2 Quinolinone compound and use thereof HIF1AN, HIF1A, EGLN2 VCAM1 481/4885SIRT6 936/4885TDP1 4561/4885

“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.