SCHEMBL513763

SCHEMBL513763

COc1ccccc1CN[C]=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRM2 P08172 12/20 0.53
GRIN1 Q05586 4/20 0.53
GRIN2A Q12879 4/20 0.53
BCHE P06276 4/20 0.53
ACHE P22303 4/20 0.53
CHRM4 P08173 4/20 0.53
CHRM5 P08912 4/20 0.53
CHRM1 P11229 4/20 0.53
CHRM3 P20309 4/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
THPO P40225 1/20 0.53

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
SCHEMBL5210678 0.84 ALDH1A1 (0.52) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5537563 0.82 L3MBTL1 (0.54) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7440647 0.82 MTNR1A (0.59) ALDH1A1KDM4EHPGD
SCHEMBL5547134 0.81 TAS1R3 (0.45) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL28674154 0.80 ALDH1A1 (0.56) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3304246 0.80 HDAC3 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5544191 0.79 HIF1A (0.45) ALDH1A1GAAMAPTKDM4ETP53
SCHEMBL5695121 0.78 ALDH1A1 (0.79) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5542545 0.77 HSD17B10 (0.53) MAPTMEN1KMT2APOLB
SCHEMBL4257416 0.77 APLNR (0.67) ALDH1A1GAAMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 EP claimed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 US claimed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 US claimed
EP-1322608-A1 DELTA1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-07-02 EP claimed
WO-2002024646-A1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-03-28 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-107098874-B N- Thioacyl homoserine lactone class compound, preparation method and the application replaced containing phenylurea 郑州大学 2019-04-30 CN disclosed
CN-107098874-A N Thioacyl homoserine lactone classes compound, its preparation method and the application replaced containing phenylurea 郑州大学 2017-08-29 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
US-5036080-A Aldose reductase inhibitor, reduction of complications from diabetes SANWA KAGAKU KENYUSHO CO., LTD. (JP) 1991-07-30 US disclosed
WO-1989009773-A1 (d)-6-FLUORO-2,3-DIHYDRO-2',5'-DIOXO-SPIRO[4H-1-BENZOPYRAN-4,4'-IMIDAZOLIDINE]-2-CARBOXAMIDE DERIVATIVES, MANUFACTURING PROCESS AND USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-10-19 WO disclosed
EP-0336416-A1 (d)-6-Fluoro-2,3-dihydro-2',5'-dioxo-spiro[1H-1-Benzopyran-4,4'-imidazolidine]-2-carboxamide derivatives, process for the preparation and use of the derivatives SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-10-11 EP disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP 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-20040068122-A1 Delta1-pyrrolines used as pesticides DDT, ADRA1D, OPRD1 ALDH1A1 203/4885GAA 3891/4885MAPT 3155/4885

“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.