SCHEMBL4386017

SCHEMBL4386017

N#Cc1ccnc(CON=C2CCN(S(=O)(=O)c3cccnc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRM5 P08912 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 0.90 SCN9A (0.39) CYP11B1CYP11B2GAAL3MBTL1CYP2C9
SCHEMBL4388309 0.88 GAA (0.47) GAAL3MBTL1CYP2C9CCNA2CDK2
SCHEMBL4379530 0.86 GAA (0.45) KDM4ECYP11B1GAAL3MBTL1KMT2A
SCHEMBL4384743 0.86 SCN9A (0.39) L3MBTL1KMT2AMEN1
SCHEMBL8222754 0.85 GPR6 (0.40) KDM4EGAAL3MBTL1CCNA2CDK2
SCHEMBL4384547 0.85 CCR6 (0.42) GAAL3MBTL1CCNA2CDK2KMT2A
SCHEMBL4393773 0.84 HSD11B1 (0.44) KDM4EGAAHPGD
SCHEMBL4388899 0.83 PKM (0.37) TSHRGAAL3MBTL1CYP2C9CDK2
SCHEMBL4377008 0.83 CYP11B1 (0.39) CYP11B1CYP11B2GAAL3MBTL1CYP2C9
SCHEMBL4380261 0.81 MEN1 (0.42) CYP11B1GAAL3MBTL1CCNA2CDK2

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 KDM4E 560/4885CYP11B1 371/4885CYP11B2 302/4885

“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.