SCHEMBL229979

SCHEMBL229979

Cn1oc(=O)nc1NOCCc1ccc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRM5 P08912 1/20 0.33
P2RX3 P56373 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL231495 0.82 CYP3A4 (0.39) KMT2AMEN1L3MBTL1
SCHEMBL229419 0.75 P2RX3 (0.35) ALDH1A1KMT2AP2RX3CHRNB2CHRNA4
SCHEMBL231943 0.74 MEN1 (0.34) ALDH1A1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL231494 0.69 GAA (0.39) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL230842 0.69 ALDH1A1 (0.35) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL229418 0.68 MAPT (0.35) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL31508111 0.66 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL759593 0.65 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1ATMLMNA
SCHEMBL231942 0.65 ALDH1A1 (0.37) ALDH1A1KMT2ACHRNB2CHRNA4MEN1
SCHEMBL231801 0.64 MEN1 (0.34) ALDH1A1KMT2AMEN1ATMLMNA

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 4218/4885NPC1 2840/4885RAB9A 28/4885

“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.