SCHEMBL230489

SCHEMBL230489

Cn1oc(=O)nc1N(Cc1ccc(Cl)nc1)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CHRM5 P08912 1/20 0.32
PDE2A O00408 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL229418 0.86 MAPT (0.35) ALDH1A1PDE2AMEN1KMT2AL3MBTL1
SCHEMBL759593 0.85 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL231801 0.84 MEN1 (0.34) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL231494 0.81 GAA (0.39) ALDH1A1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL231942 0.76 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AATM
SCHEMBL231789 0.72 ALDH1A1 (0.34) ALDH1A1CHRM5
SCHEMBL231495 0.67 CYP3A4 (0.39) MEN1KMT2AL3MBTL1KDM4EGAA
SCHEMBL229419 0.65 P2RX3 (0.35) ALDH1A1MEN1KMT2AATML3MBTL1
SCHEMBL229979 0.64 ALDH1A1 (0.34) ALDH1A1CHRM5MEN1KMT2AATM
SCHEMBL231943 0.64 MEN1 (0.34) ALDH1A1MEN1KMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4218/4885CHRM5 35/4885PDE2A 276/4885

“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.