SCHEMBL231789

SCHEMBL231789

O=C1N=C(N(Cc2ccc(Cl)nc2)CC(F)(F)F)CO1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TRPA1 O75762 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CHRM5 P08912 1/20 0.31
CTSL P07711 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
SCHEMBL231711 0.86 PARP1 (0.32)
SCHEMBL230686 0.84 CHRNA1 (0.32) ALDH1A1CHRNA1CHRNB2CHRNA3CHRNA7
SCHEMBL29572122 0.84 ALDH1A1 (0.36) ALDH1A1
SCHEMBL230649 0.84 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29571833 0.83 MEN1 (0.33) ALDH1A1CHRNA1CHRNB2CHRNA3CHRNA7
SCHEMBL231409 0.83 MEN1 (0.33) ALDH1A1CHRNA1CHRNB2CHRNA3CHRNA7
SCHEMBL229097 0.82 AR (0.34)
SCHEMBL230085 0.80 ALDH1A1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL29571581 0.80 ALDH1A1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL231624 0.80

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
EP-2587922-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-08 EP claimed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US claimed
WO-2012000902-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 WO claimed
EP-2587922-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US disclosed
WO-2012000902-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 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-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES DDT, PRMT9, PNISR ALDH1A1 4218/4885TRPA1 2286/4885CHRNA1 1171/4885

“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.