SCHEMBL540712

SCHEMBL540712

O=C(Cl)c1ccc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SIRT6 Q8N6T7 2/20 0.34
F9 P00740 1/20 0.33
AR P10275 3/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ENPP2 Q13822 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 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
SCHEMBL540137 0.92 MEN1 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL9922054 0.91 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL539977 0.89 MAPT (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL539626 0.89 SIRT6 (0.45) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL27929451 0.85 MAPT (0.36) ALDH1A1MAPTLMNAHTTL3MBTL1
SCHEMBL539910 0.83 SIRT6 (0.38) ALDH1A1MAPTLMNAHTTL3MBTL1
SCHEMBL539569 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAHTTMEN1
SCHEMBL540319 0.80 MEN1 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL540579 0.80 AR (0.37) SMN1; SMN2MAPTHTTAR
SCHEMBL8931745 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 CN disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
CN-101663261-B Insecticidal arylpyrrolidines BAYER CROPSCIENCE AG 2014-07-16 CN disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 EP disclosed
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-04-07 US disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 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 (3 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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 SMN1; SMN2 3047/4885ALDH1A1 261/4885MAPT 4582/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 SMN1; SMN2 3047/4885ALDH1A1 261/4885MAPT 4582/4885
US-20110082175-A1 INSECTICIDAL ARYL PYRROLIDINES DDT, ITPR3, CYP51A1 SMN1; SMN2 3047/4885ALDH1A1 261/4885MAPT 4582/4885

“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.