Sugi Predict

Sugi Predict / Compounds / SCHEMBL798195

SCHEMBL798195

SCHEMBL798195

O=C1c2ccccc2C(=O)N1Cc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ GRM5 P41594 4/20 0.32
▸ JUN P05412 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 3/20 0.32
▸ ADRA1A P35348 3/20 0.32
▸ ADRA1B P35368 3/20 0.32
▸ NR1H2 P55055 2/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ PTPN11 Q06124 2/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL2359132 0.84 ATF1 (0.32) NFKB1NR1H2NR1H3PTPN11
SCHEMBL2308710 0.83 NR1H2 (0.40) NFKB1NR1H2NR1H3CYP3A4
SCHEMBL3039212 0.83 NR1H2 (0.33) NFKB1NR1H2NR1H3PTPN11
SCHEMBL807915 0.83 NR1H2 (0.35) NFKB1NR1H2NR1H3PTPN11HTT
SCHEMBL27989481 0.81 NR1H2 (0.31) NFKB1NR1H2NR1H3PTPN11
SCHEMBL13219713 0.80 EPHX2 (0.41) NFKB1NR1H2NR1H3MAPT
SCHEMBL13219714 0.78 OPRL1 (0.34) OPRL1OPRM1NFKB1NR1H2NR1H3
Ammonia Solution, Strong SCHEMBL2309304 0.77 PTPN11 (0.34) OPRL1OPRM1NFKB1NR1H2NR1H3
SCHEMBL794326 0.77 RXFP1 (0.36) NFKB1NR1H2NR1H3
SCHEMBL27935218 0.77 PTPN11 (0.32) NR1H2PTPN11

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 9 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-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
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
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 OPRL1 2023/4885OPRM1 2811/4885GRM5 2383/4885

“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.