SCHEMBL178196

SCHEMBL178196

CCC(=O)NCc1cccc2nc(N3CCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)sc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
POLB P06746 2/20 0.34
ITGAL P20701 1/20 0.34
TRPV1 Q8NER1 5/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAAA Q02083 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL8406404 0.93 MAPT (0.35) MAPTPOLBITGALTRPV1LMNA
SCHEMBL6112955 0.88 TSHR (0.35) MAPTPOLBITGALLMNAKDM4E
SCHEMBL6113104 0.85 SCD (0.33) ITGAL
SCHEMBL6113075 0.84 ITGAL (0.38) ITGALNAAANPC1RAB9AACACB
SCHEMBL177961 0.83 ITGAL (0.30) ITGAL
SCHEMBL6113318 0.81 ITGAL (0.39) MAPTITGALKDM4ENAAANPC1
SCHEMBL168799 0.81 ITGAL (0.35) MAPTITGALLMNANPSR1NPC1
SCHEMBL166858 0.81 ITGAL (0.39) MAPTITGALNAAANPC1RAB9A
SCHEMBL168874 0.81 ITGAL (0.45) MAPTITGALKDM4ENAAANPC1
SCHEMBL8406378 0.78 RXFP1 (0.35) MAPTITGALNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
US-20120129854-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-24 US disclosed
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 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-20120129854-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR MAPT 4101/4885POLB 4780/4885ITGAL 3507/4885

“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.