SCHEMBL502099

SCHEMBL502099

O=C1C=C(N(Cc2ccc(Cl)nc2)CC(F)Cl)CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL123283 0.92 KDM1A (0.32) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL29394548 0.92 KDM1A (0.32) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL16585895 0.84 ALDH1A1 (0.32) KDM1APSEN1PSEN2APH1BNCSTN
Furan-2(5H)-One SCHEMBL13585609 0.84 CA1 (0.31)
SCHEMBL28892254 0.84 MDM2 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL120449 0.84 CHRNA1 (0.32) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL2893249 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3025243 0.82 L3MBTL1 (0.42) KDM1AALDH1A1
SCHEMBL2890469 0.82 CHRNA1 (0.32) KDM1APSEN1PSEN2APH1BNCSTN
SCHEMBL28892355 0.82 GRM4 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-11-11 US claimed
EP-2090168-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-08-19 EP claimed
EP-2044841-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-04-08 EP claimed
EP-2004635-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER IP GMBH (DE) 2015-09-23 EP disclosed
EP-2004635-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER IP GMBH (DE) 2015-09-23 EP disclosed
EP-2327304-B1 Use of substituted enaminocarbonyl compounds for combating animal pests BAYER CROPSCIENCE AG (DE) 2014-08-06 EP disclosed
EP-2327304-B1 Use of substituted enaminocarbonyl compounds for combating animal pests BAYER CROPSCIENCE AG (DE) 2014-08-06 EP disclosed
US-20130303376-A1 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2013-11-14 US disclosed
US-8546577-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-01 US disclosed
US-8546577-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-01 US disclosed
US-8546577-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-01 US disclosed
US-20090253749-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG 2009-10-08 US disclosed
EP-2090168-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-08-19 EP disclosed
EP-2090168-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-08-19 EP disclosed
WO-2009046837-A2 METHODS OF IMPROVING PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2009-04-16 WO disclosed
EP-2044841-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-04-08 EP disclosed
EP-2044841-A1 Method for improving plant growth Bayer CropScience AG (DE) 2009-04-08 EP disclosed
EP-2004635-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2007115644-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115644-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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 (3 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-20100285965-A1 METHODS OF IMPROVING PLANT GROWTH MYCBP, MYB, MRPL37 KDM1A 2674/4885PSEN1 4114/4885PSEN2 3982/4885
US-20090253749-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 KDM1A 1502/4885PSEN1 2614/4885PSEN2 2429/4885
US-20130303376-A1 METHODS OF IMPROVING PLANT GROWTH MYCBP, MYB, MRPL37 KDM1A 2468/4885PSEN1 4217/4885PSEN2 4047/4885

“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.