SCHEMBL794326

SCHEMBL794326

O=C(NCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
EPHX2 P34913 8/20 0.36
CYP2C9 P11712 3/20 0.36
KDM4E B2RXH2 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL798260 0.93 ATF1 (0.40) RXFP1KCNH2MCHR1EPHX2CYP2C9
SCHEMBL15467718 0.92 TSHR (0.38) RXFP1KCNH2MCHR1EPHX2CYP2C9
SCHEMBL3030705 0.89 NR1H2 (0.35) EPHX2NR1H2NR1H3ATF1NFKB1
SCHEMBL2308717 0.89 NR1H2 (0.42) EPHX2NR1H2NR1H3ATF1NFKB1
SCHEMBL796012 0.89 CCR4 (0.35) RXFP1KCNH2MCHR1EPHX2CYP2C9
SCHEMBL17857816 0.87 EPHX2 (0.35) RXFP1KCNH2MCHR1EPHX2CYP2C9
SCHEMBL793659 0.86 KCNH2 (0.39) RXFP1KCNH2MCHR1EPHX2CYP2C9
SCHEMBL13219713 0.85 EPHX2 (0.41) EPHX2NR1H2NR1H3SMN1; SMN2ATF1
SCHEMBL15466443 0.84 KCNH2 (0.41) KCNH2MCHR1EPHX2CYP2C9KDM4E
SCHEMBL2308710 0.83 NR1H2 (0.40) CYP2C9NR1H2NR1H3ATF1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
CN-103282347-A Pesticidal arylpyrrolidines BAYER IP GMBH 2013-09-04 CN disclosed
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 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 (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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT RXFP1 1157/4885KCNH2 177/4885MCHR1 1165/4885

“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.