SCHEMBL4379530

SCHEMBL4379530

N#Cc1ccnc(CON=C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR6 P46095 1/20 0.41
HSD11B1 P28845 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP21A2 P08686 2/20 0.38
CYP11B1 P15538 2/20 0.38
KDM4E B2RXH2 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C1 Q04828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
ATM Q13315 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
SCHEMBL4384904 0.93 SCN9A (0.39) GAAALDH1A1CYP17A1CYP21A2CYP11B1
SCHEMBL4384547 0.90 CCR6 (0.42) GAAMEN1KMT2AL3MBTL1ATM
SCHEMBL4384743 0.89 SCN9A (0.39) MEN1KMT2AAKR1C3AKR1C1L3MBTL1
SCHEMBL4393773 0.87 HSD11B1 (0.44) GAAHSD11B1KDM4E
SCHEMBL4388309 0.87 GAA (0.47) GAAMEN1KMT2AHSD11B1L3MBTL1
SCHEMBL4386017 0.86 KDM4E (0.39) GAAMEN1KMT2ACYP11B1KDM4E
SCHEMBL4377008 0.85 CYP11B1 (0.39) GAAMEN1KMT2AHSD11B1CYP17A1
SCHEMBL8222754 0.84 GPR6 (0.40) GAAMEN1KMT2AGPR6HSD11B1
SCHEMBL4388899 0.82 PKM (0.37) GAAMEN1KMT2AHSD11B1L3MBTL1
SCHEMBL4380261 0.80 MEN1 (0.42) GAAMEN1KMT2AGPR6HSD11B1

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 GAA 3245/4885ALDH1A1 2105/4885MEN1 3694/4885

“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.