SCHEMBL4380261

SCHEMBL4380261

N#Cc1ccnc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GPR6 P46095 1/20 0.41
HSD11B1 P28845 1/20 0.38
PRCP P42785 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL4377008 0.91 CYP11B1 (0.39) MEN1KMT2AHSD11B1GAAL3MBTL1
SCHEMBL4388309 0.89 GAA (0.47) MEN1KMT2AHSD11B1GAAL3MBTL1
SCHEMBL8222754 0.88 GPR6 (0.40) MEN1KMT2AGPR6HSD11B1GAA
SCHEMBL4382818 0.86 PRCP (0.44) MEN1KMT2APRCPHDAC3HDAC4
SCHEMBL4384547 0.86 CCR6 (0.42) MEN1KMT2AGAAL3MBTL1CCNA2
SCHEMBL4392776 0.86 HSD11B1 (0.41) MEN1KMT2AHSD11B1PRCPHDAC3
SCHEMBL4383832 0.85 MEN1 (0.43) MEN1KMT2AGPR6HSD11B1PRCP
SCHEMBL4380897 0.84 HCRTR1 (0.39) HSD11B1
SCHEMBL4387916 0.84 CYP11B1 (0.42) MEN1KMT2APRCPHDAC3HDAC4
SCHEMBL4388230 0.84 MEN1 (0.46) MEN1KMT2AGPR6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 MEN1 3694/4885KMT2A 2079/4885GPR6 574/4885

“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.