SCHEMBL798417

SCHEMBL798417

O=C(NCc1cnc(N2CCC(c3cc(Cl)c(F)c(Cl)c3F)(C(F)(F)F)C2)nc1C(F)F)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.35
EPHX2 P34913 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL15466275 0.90 CCR4 (0.33) CCR4EPHX2
SCHEMBL794301 0.90 CCR4 (0.34) CCR4EPHX2
SCHEMBL17857816 0.89 EPHX2 (0.35) CCR4EPHX2SMN1; SMN2ALDH1A1RXFP1
SCHEMBL796012 0.88 CCR4 (0.35) CCR4EPHX2SMN1; SMN2ALDH1A1RXFP1
SCHEMBL797864 0.85 CCR4 (0.36) CCR4EPHX2SMN1; SMN2ALDH1A1RXFP1
SCHEMBL15466577 0.82 KCNH2 (0.38) EPHX2KDM4ECYP2C9
SCHEMBL15466297 0.82 TSHR (0.37) EPHX2ALDH1A1RXFP1KDM4ECYP2C9
SCHEMBL794660 0.79 EPHX2 (0.37) EPHX2SMN1; SMN2ALDH1A1RXFP1KDM4E
SCHEMBL793715 0.79 NR1H2 (0.35) CCR4EPHX2
SCHEMBL15466494 0.79 NR1H2 (0.42) CCR4EPHX2

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 CCR4 215/4885EPHX2 1332/4885SMN1; SMN2 3592/4885

“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.