SCHEMBL230686

SCHEMBL230686

O=C1N=C(N(CCF)Cc2ccc(Cl)nc2)CO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL232891 0.86 MMP2 (0.31)
SCHEMBL231790 0.85 PARP1 (0.32)
SCHEMBL230649 0.85 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL29572122 0.85 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL231789 0.84 ALDH1A1 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL231409 0.84 MEN1 (0.33) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL29571833 0.84 MEN1 (0.33) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL232437 0.82
SCHEMBL29571581 0.81 ALDH1A1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL230085 0.81 ALDH1A1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN

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
WO-2012000902-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 WO claimed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US claimed
EP-2587922-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000902-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 WO disclosed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 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-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES DDT, PRMT9, PNISR CHRNA1 1171/4885CHRNB2 860/4885CHRNA3 734/4885

“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.