SCHEMBL2313758

SCHEMBL2313758

CCOC(=O)c1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ACACB O00763 1/20 0.43
NR1H2 P55055 9/20 0.42
NR1H3 Q13133 7/20 0.41
CNR2 P34972 1/20 0.41
NFKB1 P19838 4/20 0.40
ATF1 P18846 2/20 0.40
JUN P05412 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL2307609 0.86 ATF1 (0.43) KDM4ENR1H2NR1H3CNR2NFKB1
SCHEMBL16562336 0.86 ATF1 (0.44) CNR2NFKB1ATF1JUNNFKB2
Ammonia Solution, Strong SCHEMBL2309304 0.83 PTPN11 (0.34) KDM4ENR1H2NR1H3NFKB1ATF1
SCHEMBL2312752 0.80 P2RY1 (0.40) ALDH1A1
SCHEMBL2308710 0.80 NR1H2 (0.40) NR1H2NR1H3NFKB1ATF1
SCHEMBL2308717 0.79 NR1H2 (0.42) ACACBNR1H2NR1H3NFKB1ATF1
SCHEMBL2359132 0.79 ATF1 (0.32) NR1H2NR1H3NFKB1ATF1
SCHEMBL13219714 0.79 OPRL1 (0.34) NR1H2NR1H3NFKB1ATF1
SCHEMBL807915 0.78 NR1H2 (0.35) KDM4ENR1H2NR1H3NFKB1ATF1
SCHEMBL3039212 0.78 NR1H2 (0.33) NR1H2NR1H3CNR2NFKB1ATF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20130310408-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 US disclosed
US-20130310408-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
EP-2349994-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-08-03 EP disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
WO-2010043315-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-04-22 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-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR KDM4E 262/4885ACACB 2402/4885NR1H2 3208/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR KDM4E 132/4885ACACB 2084/4885NR1H2 3663/4885
US-20130310408-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR KDM4E 132/4885ACACB 2084/4885NR1H2 3663/4885

“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.