SCHEMBL4384547

SCHEMBL4384547

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.37
CYP3A4 P08684 1/20 0.36
GRM5 P41594 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
SCHEMBL4388309 0.93 GAA (0.47) CCR6KMT2AGAAL3MBTL1MAPT
SCHEMBL8222754 0.90 GPR6 (0.40) KMT2AGAAL3MBTL1MAPTLMNA
SCHEMBL4379530 0.90 GAA (0.45) KMT2AGAAL3MBTL1MEN1ATM
SCHEMBL4384904 0.87 SCN9A (0.39) GAAL3MBTL1ATM
SCHEMBL4380261 0.86 MEN1 (0.42) KMT2AGAAL3MBTL1CCNA2CDK2
SCHEMBL4386017 0.85 KDM4E (0.39) KMT2AGAAL3MBTL1CCNA2CDK2
SCHEMBL4384743 0.84 SCN9A (0.39) KMT2AL3MBTL1TDP1SMN1; SMN2PKM
SCHEMBL4388899 0.83 PKM (0.37) KMT2AGAAL3MBTL1CDK2PKM
SCHEMBL4393773 0.82 HSD11B1 (0.44) GAALMNAPKMHTTCNR1
SCHEMBL4377008 0.81 CYP11B1 (0.39) KMT2AGAAL3MBTL1MEN1CYP3A4

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 CCR6 2413/4885KMT2A 2079/4885GAA 3245/4885

“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.