SCHEMBL925663

SCHEMBL925663

CC(=O)OCc1ccc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
NOTUM Q6P988 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ORAI1 Q96D31 2/20 0.30
PDK2 Q15119 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
SCHEMBL12905164 0.92 PDK2 (0.31) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL854638 0.85 NOTUM (0.35) EPHX2NR1H4NOTUMNPC1RAB9A
SCHEMBL854773 0.83 NOTUM (0.41) EPHX2NR1H4NOTUMNPC1RAB9A
SCHEMBL2697871 0.83 NOTUM (0.34) EPHX2NR1H4NOTUMNPC1RAB9A
SCHEMBL926339 0.80 NOTUM (0.34) NOTUM
SCHEMBL855913 0.78 NOTUM (0.36) EPHX2NR1H4NOTUMNPC1RAB9A
SCHEMBL854960 0.77 NOTUM (0.35) EPHX2NR1H4NOTUMNPC1CYP1A2
SCHEMBL926161 0.77 PDK2 (0.39) EPHX2NR1H4ORAI1PDK2
SCHEMBL926150 0.77 EPHX2 (0.30) EPHX2NR1H4
SCHEMBL854959 0.77 NOTUM (0.35) EPHX2NR1H4NOTUMNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242739-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2014-11-12 EP disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 EPHX2 392/4885NR1H4 2908/4885NOTUM 748/4885

“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.