SCHEMBL4381298

SCHEMBL4381298

N#Cc1cccc(C(ON)c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.42
KCNA5 P22460 2/20 0.41
GRM4 Q14833 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRM5 P41594 12/20 0.39
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL4384901 0.78 IDO1 (0.43) CLK4KCNA5GRM5IDO1TDO2
SCHEMBL4383727 0.76 CYP19A1 (0.50) KCNA5GRM5ALDH1A1IDO1TDO2
SCHEMBL4409887 0.72 MEN1 (0.37) KCNA5GRM4SLC6A2SLC6A4SLC6A3
SCHEMBL1380955 0.72 CYP19A1 (0.46) CLK4KCNA5GRM5KDM4EALDH1A1
SCHEMBL10360256 0.71 TSHR (0.46) KCNA5GRM4SLC6A2SLC6A4ALDH1A1
SCHEMBL17488166 0.70 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3FFAR1KDM4E
SCHEMBL2939744 0.66 GRM4 (0.44) CLK4GRM4SLC6A2SLC6A4ALDH1A1
SCHEMBL13589661 0.66 S1PR1 (0.41) GRM4FFAR1
SCHEMBL4083138 0.66 ENPP2 (0.47) CLK4GRM4SLC6A2SLC6A4ALDH1A1
SCHEMBL29434770 0.65 TSHR (0.48) KCNA5GRM4SLC6A2SLC6A4ALDH1A1

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
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO 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 CLK4 1663/4885KCNA5 184/4885GRM4 852/4885

“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.