SCHEMBL798252

SCHEMBL798252

O=C(NCc1ccc(N2CCC(c3cc(Cl)c(F)c(Cl)c3F)(C(F)(F)F)C2)cc1Br)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
PKM P14618 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KCNH2 Q12809 2/20 0.36
MCHR1 Q99705 2/20 0.36
P2RX7 Q99572 2/20 0.35
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15465905 0.90 EPHX2 (0.42) EPHX2P2RX7AR
SCHEMBL794705 0.89 EPHX2 (0.35) EPHX2P2RX7
SCHEMBL794733 0.89 EPHX2 (0.36) EPHX2P2RX7
SCHEMBL794609 0.87 EPHX2 (0.40) EPHX2PKMCYP2D6CYP2C19ALDH1A1
SCHEMBL17857813 0.84 EPHX2 (0.41) EPHX2PKMCYP2D6CYP2C19ALDH1A1
SCHEMBL794660 0.83 EPHX2 (0.37) EPHX2PKMCYP2D6CYP2C19ALDH1A1
SCHEMBL794431 0.82 EPHX2 (0.42) EPHX2KCNH2MCHR1P2RX7AR
SCHEMBL793993 0.82 EPHX2 (0.40) EPHX2PKMCYP2D6CYP2C19P2RX7
SCHEMBL15466565 0.81 EPHX2 (0.41) EPHX2P2RX7
SCHEMBL15466459 0.81 KCNH2 (0.39) EPHX2KMT2AKCNH2MCHR1AR

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 3 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
CN-103282347-B Pesticidal arylpyrrolidines BAYER IP GMBH 2015-04-01 CN disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US 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 EPHX2 1332/4885PKM 721/4885CYP2D6 199/4885

“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.