SCHEMBL798260

SCHEMBL798260

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 1/20 0.40
NFKB1 P19838 1/20 0.40
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
RXFP1 Q9HBX9 4/20 0.36
EPHX2 P34913 8/20 0.36
CYP2C9 P11712 4/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 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
SCHEMBL794326 0.93 RXFP1 (0.36) ATF1NFKB1NR1H2NR1H3RXFP1
SCHEMBL15467718 0.91 TSHR (0.38) NR1H2NR1H3RXFP1EPHX2CYP2C9
SCHEMBL15467152 0.89 ATF1 (0.40) ATF1NFKB1NR1H2NR1H3EPHX2
SCHEMBL15466715 0.89 NR1H2 (0.44) ATF1NFKB1NR1H2NR1H3EPHX2
SCHEMBL797864 0.89 CCR4 (0.36) RXFP1EPHX2CYP2C9KCNH2MCHR1
SCHEMBL15467466 0.86 KCNH2 (0.40) RXFP1EPHX2CYP2C9KCNH2MCHR1
SCHEMBL17857816 0.85 EPHX2 (0.35) NR1H2NR1H3RXFP1EPHX2CYP2C9
SCHEMBL15466959 0.84 KCNH2 (0.41) EPHX2CYP2C9KCNH2MCHR1KDM4E
SCHEMBL3030705 0.82 NR1H2 (0.35) ATF1NFKB1NR1H2NR1H3EPHX2
SCHEMBL2308717 0.81 NR1H2 (0.42) ATF1NFKB1NR1H2NR1H3EPHX2

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 4 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US 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

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 ATF1 937/4885NFKB1 3428/4885NR1H2 2771/4885

“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.