SCHEMBL230086

SCHEMBL230086

O=C1N=C(NCCc2ccc(Cl)nc2)CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PLK1 P53350 1/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL231881 0.84 PARP1 (0.34) GAA
SCHEMBL231887 0.84 DYRK1A (0.33) GAA
SCHEMBL230842 0.81 ALDH1A1 (0.35) GAAKDM4EMAPTL3MBTL1NPC1
SCHEMBL230749 0.77 KDM4E (0.34) GAAKDM4EMAPTL3MBTL1NPC1
SCHEMBL230650 0.77 LMNA (0.36) GAAKDM4EMAPTL3MBTL1NPC1
SCHEMBL163147 0.76 GAA (0.38) GAAKDM4EMAPTL3MBTL1SMN1; SMN2
SCHEMBL229675 0.76 LMNA (0.31) GAAKDM4EL3MBTL1MEN1KMT2A
SCHEMBL17184104 0.75 MEN1 (0.33) GAAKDM4EMAPTL3MBTL1NPC1
SCHEMBL29571581 0.68 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL230085 0.68 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AALDH1A1

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
WO-2010005692-A2 INSECTICIDAL CYCLIC CARBONYL AMIDINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-14 WO claimed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US disclosed
WO-2010005692-A2 INSECTICIDAL CYCLIC CARBONYL AMIDINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-14 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 GAA 2667/4885KDM4E 1810/4885MAPT 3876/4885

“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.