SCHEMBL39842

SCHEMBL39842

O=C1CC(=O)N(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CTSG P08311 4/20 0.44
▸ CMA1 P23946 3/20 0.44
▸ HPGD P15428 2/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CHRM2 P08172 1/20 0.40

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
SCHEMBL2392165 0.84 ALDH1A1 (0.49) ALDH1A1USP2CYP1A2CYP3A4TSHR
SCHEMBL9834330 0.84 KMT2A (0.61) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1750928 0.79 NPC1 (0.52) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL28844401 0.79 NPC1 (0.56) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6363201 0.77 NPC1 (0.67) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6362412 0.76 HPGD (0.53) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL11879033 0.75 KMT2A (0.42) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2550882 0.74 RAB9A (0.41) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL5309857 0.73 MAPT (0.47) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14541451 0.72 NPC1 (0.48) KMT2ANPC1RAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349888-B Novel alkynyl-substituted 3-phenylpyrrolidine-2, 4-diones and their use as herbicides 拜耳作物科学股份公司 2022-03-25 — — CN claimed
US-11178868-B2 Alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-11-23 — — US claimed
CN-107922333-B Novel alkynyl-substituted 3-phenylpyrrolidine-2, 4-diones and their use as herbicides 拜耳作物科学股份公司 2021-03-30 — — CN claimed
US-10899709-B2 Novel-alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-01-26 — — US claimed
EP-3359525-B1 NEW ALKYNYL-SUBSTITUTED 3-PHENYLPYRROLIDIN-2,4-DIONES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2021-01-06 — — EP claimed
US-20190174758-A1 New alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-13 — — US claimed
EP-3310759-B1 NEW ALKYNYLSUBSTITUTED 3-PHENYLPYRROLIDIN-2,4-DIONE AND THEIR USE AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2019-03-20 — — EP claimed
US-20180170872-A1 NOVEL-ALKYNYL-SUBSTITUTED 3-PHENYLPYRROLIDINE-2,4-DIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 — — US claimed
CN-108349888-B Novel alkynyl-substituted 3-phenylpyrrolidine-2, 4-diones and their use as herbicides 拜耳作物科学股份公司 2022-03-25 — — CN disclosed
CN-108349888-B Novel alkynyl-substituted 3-phenylpyrrolidine-2, 4-diones and their use as herbicides 拜耳作物科学股份公司 2022-03-25 — — CN disclosed
US-20210400966-A1 NEW ALKYNYL-SUBSTITUTED 3-PHENYLPYRROLIDINE-2,4-DIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-12-30 — — US disclosed
US-20210400966-A1 NEW ALKYNYL-SUBSTITUTED 3-PHENYLPYRROLIDINE-2,4-DIONES AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-12-30 — — US disclosed
US-11178868-B2 Alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-11-23 — — US disclosed
US-11178868-B2 Alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-11-23 — — US disclosed
EP-0415211-A2 3-Aryl-pyrrolidin-2,4-dione derivatives BAYER AG (DE) 1991-03-06 — — EP disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 — — US disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 — — EP disclosed
US-4257957-A Methyl-tris-(4-hydroxycoumarin)silane GENERAL ELECTRIC COMPANY (US) 1981-03-24 — — US disclosed
US-4238401-A ALKANOL, HALOSILANE, 1,3-DICARBONYL CYCLIC COMPOUND, VULCANIZATION AGENTS GENERAL ELECTRIC COMPANY (US) 1980-12-09 — — US disclosed
US-4210596-A Silyl ethers of 1,3-dicarbonyl cyclic compounds GENERAL ELECTRIC COMPANY (US) 1980-07-01 — — 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 (5 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-20190174758-A1 New alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides HDHD5, DDT, HPD KMT2A 1245/4885NPC1 4554/4885RAB9A 2851/4885
US-20210400966-A1 NEW ALKYNYL-SUBSTITUTED 3-PHENYLPYRROLIDINE-2,4-DIONES AND USE THEREOF AS HERBICIDES HDHD5, DDT, HPD KMT2A 1245/4885NPC1 4554/4885RAB9A 2851/4885
US-20180170872-A1 NOVEL-ALKYNYL-SUBSTITUTED 3-PHENYLPYRROLIDINE-2,4-DIONES AND USE THEREOF AS HERBICIDES CBR3, HDHD5, DDT KMT2A 1423/4885NPC1 4512/4885RAB9A 3695/4885
US-10899709-B2 Novel-alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides CBR3, HDHD5, DDT KMT2A 1423/4885NPC1 4512/4885RAB9A 3695/4885
US-11178868-B2 Alkynyl-substituted 3-phenylpyrrolidine-2,4-diones and use thereof as herbicides HDHD5, HPD, CBR3 KMT2A 1590/4885NPC1 4489/4885RAB9A 3090/4885

“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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