SCHEMBL230749

SCHEMBL230749

O=C1N=C(NC2(Cc3ccc(Cl)nc3)CC2)CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPA1 O75762 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL230825 0.85 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6
SCHEMBL231623 0.85 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC6
SCHEMBL232692 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL162659 0.79 ALDH1A1 (0.35) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL230699 0.77 PARG (0.32) KDM4EGAAALDH1A1KMT2A
SCHEMBL230086 0.77 GAA (0.38) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL230650 0.75 LMNA (0.36) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL3226506 0.75 ALDH1A1 (0.36) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL230842 0.74 ALDH1A1 (0.35) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL17184104 0.73 MEN1 (0.33) KDM4EGAAMAPTL3MBTL1OXTR

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 KDM4E 1810/4885GAA 2667/4885MAPT 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.