SCHEMBL18898459

SCHEMBL18898459

C/C=C\C(=C/C)S(=O)(=O)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CA2 P00918 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ HPGD P15428 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
SCHEMBL20636072 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1POLBL3MBTL1BRD4
SCHEMBL24311856 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBL3MBTL1BRD4
SCHEMBL21504863 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1POLBL3MBTL1BRD4
SCHEMBL24977490 0.80 KEAP1 (0.48) ALDH1A1CA2MEN1KMT2ACA1
SCHEMBL2026762 0.75 HPGD (0.57) SMN1; SMN2ALDH1A1CA2KDM4EHTT
SCHEMBL23797104 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1POLBL3MBTL1BRD4
SCHEMBL21585329 0.73 CA2 (0.37) SMN1; SMN2ALDH1A1POLBL3MBTL1CA2
SCHEMBL7861945 0.73 HPGD (0.67) SMN1; SMN2ALDH1A1POLBL3MBTL1CA2
Benzene SCHEMBL27525466 0.73 KEAP1 (0.59) SMN1; SMN2ALDH1A1CA2KDM4ECA1
SCHEMBL20760154 0.71 CA2 (0.35) SMN1; SMN2ALDH1A1POLBL3MBTL1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-25 — — US disclosed
US-20220235036-A1 1-PHENYL-5-AZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR USE FOR CONTROLLING UNWANTED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2022-07-28 — — US disclosed
US-20220151230-A1 SPECIFICALLY SUBSTITUTED 3-(2-HALOGEN-6-ALKYL-4-PROPINYLPHENYL)-3-PYRROLIN-2-ONES AND TO THE USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-05-19 — — US disclosed
US-20220151232-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF S-CONTAINING CYCLOPENTENYLCARBOXYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-19 — — US disclosed
US-11197477-B2 Aqueous capsule suspension concentrates based on 2-[(2,4-dichlorophenyl)methyl]-4,4′-dimethyl-3-isoxazolidinone BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-12-14 — — US disclosed
US-20210289781-A1 HERBICIDAL MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 2021-09-23 — — US disclosed
US-20210002301-A1 NOVEL ISOTHIAZOLO-AZEPINONE BICYCLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER AG (DE) 2021-01-07 — — US disclosed
US-20200404920-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-12-31 — — US disclosed
US-20200325159-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-10-15 — — US disclosed
US-20190200614-A1 AQUEOUS CAPSULE SUSPENSION CONCENTRATES BASED ON 2-[(2,4-DICHLOROPHENYL)METHYL]-4,4'-DIMETHYL-3-ISOXAZOLIDINONE FMC CORPORATION 2019-07-04 — — US disclosed
US-20190166840-A1 SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 — — US disclosed
US-9968090-B2 Herbicide-safener compositions containing N-(1,3,4-oxadiazol-2-yl)aryl carboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-15 — — US disclosed
US-9661848-B2 Substituted 4-cyan-3-(pyridyl)-4-phenylbutanoates, method for the production thereof and uses as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2017-05-30 — — 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 (11 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-20190200614-A1 AQUEOUS CAPSULE SUSPENSION CONCENTRATES BASED ON 2-[(2,4-DICHLOROPHENYL)METHYL]-4,4'-DIMETHYL-3-ISOXAZOLIDINONE ACMSD, DDT, CCND2 SMN1; SMN2 4253/4885ALDH1A1 446/4885POLB 4469/4885
US-20220151232-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF S-CONTAINING CYCLOPENTENYLCARBOXYLIC ESTERS AADAC, DDT, PFAS SMN1; SMN2 3193/4885ALDH1A1 349/4885POLB 3675/4885
US-20210289781-A1 HERBICIDAL MIXTURES ATL3, DDT, CLSPN SMN1; SMN2 3945/4885ALDH1A1 676/4885POLB 1566/4885
US-20200325159-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 SMN1; SMN2 2271/4885ALDH1A1 756/4885POLB 1435/4885
US-11197477-B2 Aqueous capsule suspension concentrates based on 2-[(2,4-dichlorophenyl)methyl]-4,4′-dimethyl-3-isoxazolidinone ACMSD, DDT, CCND2 SMN1; SMN2 4241/4885ALDH1A1 442/4885POLB 4485/4885
US-20220151230-A1 SPECIFICALLY SUBSTITUTED 3-(2-HALOGEN-6-ALKYL-4-PROPINYLPHENYL)-3-PYRROLIN-2-ONES AND TO THE USE THEREOF AS HERBICIDES DDT, HPD, PFAS SMN1; SMN2 4779/4885ALDH1A1 185/4885POLB 2839/4885
US-20210002301-A1 NOVEL ISOTHIAZOLO-AZEPINONE BICYCLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BROX, DDT, BRI3BP SMN1; SMN2 4816/4885ALDH1A1 1283/4885POLB 3881/4885
US-20190166840-A1 SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS HPD, GMDS, WEE1 SMN1; SMN2 4865/4885ALDH1A1 947/4885POLB 3799/4885
US-20200404920-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 SMN1; SMN2 2050/4885ALDH1A1 404/4885POLB 1302/4885
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES DDT, IDH2, DAO SMN1; SMN2 4713/4885ALDH1A1 390/4885POLB 2713/4885
US-20220235036-A1 1-PHENYL-5-AZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR USE FOR CONTROLLING UNWANTED PLANT GROWTH AGPS, CYP51A1, PGLS SMN1; SMN2 4510/4885ALDH1A1 179/4885POLB 1967/4885

“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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