SCHEMBL4384895

SCHEMBL4384895

N#Cc1ccnc(CON=C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4387888 0.89 FABP1 (0.52) FABP1L3MBTL1ALDH1A1GAAALOX15
SCHEMBL4384904 0.83 SCN9A (0.39) L3MBTL1ALDH1A1GAA
SCHEMBL4388899 0.83 PKM (0.37) FABP1L3MBTL1GAAALOX15MAPK1
SCHEMBL4388309 0.81 GAA (0.47) L3MBTL1GAAPKM
SCHEMBL4386017 0.81 KDM4E (0.39) L3MBTL1GAAMAPK1TSHR
SCHEMBL4380897 0.81 HCRTR1 (0.39) FABP1PKM
SCHEMBL4379530 0.80 GAA (0.45) L3MBTL1ALDH1A1GAA
SCHEMBL4384743 0.80 SCN9A (0.39) L3MBTL1PKMGFER
SCHEMBL8222754 0.79 GPR6 (0.40) L3MBTL1GAAPKM
SCHEMBL4384547 0.79 CCR6 (0.42) L3MBTL1GAAPKM

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 FABP1 4156/4885L3MBTL1 2099/4885ALDH1A1 2105/4885

“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.