SCHEMBL3860441

SCHEMBL3860441

CCOP(O)(=S)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
CYP3A4 P08684 2/20 0.73
MAPK1 P28482 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TSHR P16473 1/20 0.73
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
BCHE P06276 1/20 0.66
ACHE P22303 1/20 0.66
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
PTGS2 P35354 1/20 0.47
GAA P10253 1/20 0.45
AKR1C3 P42330 1/20 0.45

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
SCHEMBL20526223 0.96 ALDH1A1 (0.68) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL26857 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL4751066 0.84 ALDH1A1 (0.91) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL8779525 0.83 ALDH1A1 (0.97) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL10436147 0.83 ALDH1A1 (0.97) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL10447032 0.83 ALDH1A1 (0.97) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
SCHEMBL2545948 0.83 CES2 (0.73) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL8960270 0.83 ALDH1A1 (0.97) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL8960276 0.83 ALDH1A1 (0.97) ALDH1A1CYP3A4MAPK1HSD17B10TSHR
Parathion SCHEMBL20271121 0.83 ALDH1A1 (0.97) ALDH1A1CYP3A4MAPK1HSD17B10TSHR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177989-A Activity-inducible fusion proteins with heat shock protein 90 binding domain 西雅图儿童医院以西雅图儿童研究机构名义经营 2023-12-05 CN disclosed
CN-114641475-A Agricultural and horticultural insecticide or animal external or internal parasite control agent containing condensed heterocyclic compound having substituted cyclopropane oxadiazolyl group or salt thereof as active ingredient, and method for using same 日本农药株式会社 2022-06-17 CN disclosed
CN-114501995-A Agricultural and horticultural insecticide or animal external or internal parasite control agent containing substituted cyclopropane oxadiazolyl-containing imidazopyridazine compound or salt thereof as active ingredient, and method for using same 日本农药株式会社 2022-05-13 CN disclosed
CN-110121500-B 4H-pyrrolopyridine compound or salt thereof, agricultural or horticultural insecticide containing same, and method for using same 日本农药株式会社 2022-05-03 CN disclosed
CN-110114354-B Condensed heterocyclic compound having oxime group or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2022-04-29 CN disclosed
CN-114401967-A Agricultural and horticultural insecticide or external or internal parasite control agent for animals containing imidazopyridazine compound or salt thereof as active ingredient, and method of use thereof 日本农药株式会社 2022-04-26 CN disclosed
CN-114144419-A Oxazepinotrienone derivative, agricultural or horticultural insecticide containing the derivative, and method of using the same 日本农药株式会社 2022-03-04 CN disclosed
CN-113906024-A Condensed heterocyclic compound having nitrogen atom at crosslinking portion or salt thereof, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2022-01-07 CN disclosed
CN-109415357-B Condensed heterocyclic compound having hydrazone group or salt thereof, agricultural and horticultural insecticide containing the compound, and method for using the same 日本农药株式会社 2021-10-29 CN disclosed
CN-109906221-B N-alkylsulfonylindoline compound, agricultural and horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2021-10-01 CN disclosed
CN-109863150-B 1H-pyrrolopyridine compound or N-oxide or salt thereof, agricultural or horticultural insecticide containing the compound, and method for using the same 日本农药株式会社 2021-08-03 CN disclosed
CN-108290858-B 3H-pyrrolopyridine compound or N-oxide thereof, or salt thereof, agricultural or horticultural insecticide containing the compound, and method for using the same 日本农药株式会社 2021-07-06 CN disclosed
CN-108699050-B Benzoxazole compound or salt thereof, agricultural and horticultural insecticide containing said compound, and method for using said insecticide 日本农药株式会社 2021-06-11 CN disclosed
CN-108077275-B Fungicidal penflufen mixtures 朗盛德国有限责任公司 2021-04-30 CN disclosed
CN-112384516-A Benzimidazole compound having optionally halogenated alkylenedioxy group or salt thereof, agricultural or horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2021-02-19 CN disclosed
CN-108699066-B Condensed heterocyclic compound having heterocyclic ring bonded thereto or salt thereof, agricultural or horticultural insecticide containing the same, and method of using the same 日本农药株式会社 2020-12-22 CN disclosed
CN-108486024-B Method for detecting organophosphorus pesticide by using sensing system based on flora 上海交通大学 2020-12-11 CN disclosed
CN-107531622-B Anthranilate compound or salt thereof, agricultural and horticultural bactericide containing anthranilate compound, and method for using same 日本农药株式会社 2020-03-20 CN disclosed
US-7491738-B2 Pest control agents MEIJI SEIKA KAISHA, LTD. (JP) 2009-02-17 US disclosed
US-20060281780-A1 Pest control agents MEIJI SEIKA KAISHA, LTD. (JP) 2006-12-14 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 (1 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-20060281780-A1 Pest control agents CTRL, ACHE, DDT ALDH1A1 3280/4885CYP3A4 1602/4885MAPK1 2022/4885

“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.