SCHEMBL20602341

SCHEMBL20602341

[N-]=[N+]=NC(=O)COc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KDM5A P29375 1/20 0.33

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
SCHEMBL16029978 0.89 S1PR1 (0.39) CYP19A1CYP11B1CYP11B2BCHEACHE
SCHEMBL16076982 0.89 CYP19A1 (0.37) CYP19A1CYP11B1CYP11B2BCHEACHE
SCHEMBL30604319 0.87 S1PR1 (0.38) CYP19A1CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL14576427 0.87 NPC1 (0.39) CYP19A1CYP11B1CYP11B2TDP2BCHE
SCHEMBL16030165 0.85 USP7 (0.39) BCHEACHELIPEMCHR1KDM5A
SCHEMBL16040219 0.84 MCHR1 (0.34) MAPTMCHR1S1PR1S1PR3KDM5A
SCHEMBL20602334 0.84 MEN1 (0.47) POLBBLMTDP1BCHEACHE
SCHEMBL16031423 0.84 PDE2A (0.38) TDP2BCHEACHELIPEHRH3
SCHEMBL20615071 0.83 POLB (0.54) POLBBLMTDP1CYP19A1CYP11B1
SCHEMBL16042983 0.83 MCHR1 (0.35) MAPTMCHR1S1PR1S1PR3KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644731-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2024-02-14 — — EP disclosed
EP-3644731-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-22 — — EP disclosed
CN-110996661-B Molecules having pesticidal utility and intermediates, compositions and methods related thereto 陶氏益农公司 2022-08-12 — — CN disclosed
US-11399540-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto CORTEVA AGRISCIENCE LLC (US) 2022-08-02 — — US disclosed
US-20200196606-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-06-25 — — US disclosed
US-20200196606-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-06-25 — — US disclosed
EP-3644731-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2020-05-06 — — EP disclosed
CN-110996661-A Molecules having pesticidal utility and intermediates, compositions and methods related thereto 陶氏益农公司 2020-04-10 — — CN disclosed
WO-2019005517-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-01-03 — — WO disclosed
WO-2019005517-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-01-03 — — 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 (2 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-11399540-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD POLB 3630/4885BLM 472/4885TDP1 683/4885
US-20200196606-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD POLB 3630/4885BLM 472/4885TDP1 683/4885

“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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