SCHEMBL21462333

SCHEMBL21462333

N#Cc1c(N)cccc1/C=C\C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PTGER3 P43115 5/20 0.39
▸ PTGER2 P43116 5/20 0.39
▸ PTGER1 P34995 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL1535400 1.00 CA1 (0.46) CA1CA2NFKB1CA4NPSR1
SCHEMBL11353579 0.82 CA1 (0.47) CA1CA2NFKB1CA4KDM4E
SCHEMBL27735189 0.82 NFKB1 (0.61) CA1CA2NFKB1CA4KDM4E
SCHEMBL311165 0.82 NFKB1 (0.61) CA1CA2NFKB1CA4KDM4E
SCHEMBL11353581 0.82 CA1 (0.47) CA1CA2NFKB1CA4KDM4E
SCHEMBL27734334 0.82 ALDH1A1 (0.42) CA1CA2KDM4EMAPT
SCHEMBL28782162 0.81 CA1 (0.47) CA1CA2NFKB1CA4KDM4E
SCHEMBL11354269 0.81 CA1 (0.46) CA1CA2NFKB1CA4KDM4E
SCHEMBL11354273 0.81 CA1 (0.46) CA1CA2NFKB1CA4KDM4E
SCHEMBL20515307 0.79 CA12 (0.43) CA1CA2MAPTHTTLMNA

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-109730068-A (Z) -2- cyano -3- amino -3- phenyl acrylates compounds inhibit the application of Cereal mycotoxin pollution 江苏省农药研究所股份有限公司 2019-05-10 — — CN claimed
EP-4365172-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2024-05-08 — — EP disclosed
EP-4337017-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS Bayer Aktiengesellschaft (DE) 2024-03-20 — — EP disclosed
EP-3497102-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2022-12-07 — — EP disclosed
EP-3993626-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2022-05-11 — — EP disclosed
EP-3619196-B1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES E.G. FOR CROP PROTECTION BAYER CROPSCIENCE AG (DE) 2022-03-30 — — EP disclosed
US-11225470-B2 Tetrazolinone compounds and its use as pest control agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-01-18 — — US disclosed
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
EP-3890489-A1 HERBICIDE COMPOSITIONS Bayer Aktiengesellschaft (DE) 2021-10-13 — — EP disclosed
EP-3890488-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2021-10-13 — — EP disclosed
WO-2020114934-A1 HERBICIDE COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-11 — — WO disclosed
WO-2020053282-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-03-19 — — WO disclosed
WO-2020002082-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
EP-3414240-B1 SUBSTITUTED IMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-12-25 — — EP disclosed
EP-3568392-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2019-11-20 — — EP disclosed
WO-2019197623-A1 ACTIVE INGREDIENT COMBINATIONS WITH INSECTICIDAL, FUNGICIDAL AND ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 — — WO disclosed
CN-109890206-A Anil that 4- is substituted and its plant pathogenic microorganisms being not intended in confrontation are with the purposes on cover crop 印度商皮埃企业有限公司 2019-06-14 — — CN disclosed
CN-109730068-A (Z) -2- cyano -3- amino -3- phenyl acrylates compounds inhibit the application of Cereal mycotoxin pollution 江苏省农药研究所股份有限公司 2019-05-10 — — CN disclosed
CN-109730068-A (Z) -2- cyano -3- amino -3- phenyl acrylates compounds inhibit the application of Cereal mycotoxin pollution 江苏省农药研究所股份有限公司 2019-05-10 — — CN disclosed
CN-109730068-A (Z) -2- cyano -3- amino -3- phenyl acrylates compounds inhibit the application of Cereal mycotoxin pollution 江苏省农药研究所股份有限公司 2019-05-10 — — CN 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-11225470-B2 Tetrazolinone compounds and its use as pest control agents CYC1, MT-CO1, CTRL CA1 716/4885CA2 1063/4885NFKB1 3988/4885

“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.

Send feedback