SCHEMBL4380175

SCHEMBL4380175

N#Cc1cccc(CON=C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CCR6 P51684 1/20 0.41
CYP3A4 P08684 3/20 0.41
GRM5 P41594 3/20 0.41
GBA1 P04062 2/20 0.40
SCN9A Q15858 1/20 0.39
CYP2C9 P11712 1/20 0.37
GPR6 P46095 1/20 0.37
EPHX2 P34913 1/20 0.36
LIPE Q05469 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4544115 0.87 GBA1 (0.41) MEN1KMT2AGBA1SCN9ACYP2C9
SCHEMBL4385890 0.85 CHRM4 (0.42) MEN1KMT2ACYP3A4GRM5GBA1
SCHEMBL4379123 0.83 PRCP (0.47) MEN1KMT2AGBA1CYP2C9EPHX2
SCHEMBL4380261 0.82 MEN1 (0.42) MEN1KMT2AGBA1GPR6EPHX2
SCHEMBL4388230 0.82 MEN1 (0.46) MEN1KMT2ACYP3A4GRM5CYP2C9
SCHEMBL4381986 0.81 MEN1 (0.49) MEN1KMT2AGBA1CYP2C9EPHX2
SCHEMBL4383840 0.81 MEN1 (0.46) MEN1KMT2ACCR6CYP3A4GRM5
SCHEMBL4383832 0.81 MEN1 (0.43) MEN1KMT2AGBA1CYP2C9GPR6
SCHEMBL4387916 0.80 CYP11B1 (0.42) MEN1KMT2AGBA1CYP2C9EPHX2
SCHEMBL4380271 0.79 MEN1 (0.42) MEN1KMT2AGBA1GPR6EPHX2

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 2079/4885CCR6 2413/4885

“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.