SCHEMBL4380897

SCHEMBL4380897

N#Cc1ccnc(CON=C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
LIPE Q05469 2/20 0.37
CHRM1 P11229 1/20 0.37
SLC22A12 Q96S37 3/20 0.36
KDM2B Q8NHM5 1/20 0.36
PKM P14618 1/20 0.36
FABP1 P07148 1/20 0.35
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
DDR1 Q08345 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
NAMPT P43490 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL4380261 0.84 MEN1 (0.42) HSD11B1
SCHEMBL4377008 0.84 CYP11B1 (0.39) KDM2BNAMPTHSD11B1
SCHEMBL4388899 0.81 PKM (0.37) PKMFABP1CCNT1CDK9HSD11B1
SCHEMBL8222754 0.81 GPR6 (0.40) PKMHSD11B1
SCHEMBL4384895 0.81 FABP1 (0.54) PKMFABP1
SCHEMBL8218975 0.81 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL4393773 0.80 HSD11B1 (0.44) PKMHSD11B1
SCHEMBL4384904 0.80 SCN9A (0.39)
SCHEMBL4388309 0.80 GAA (0.47) PKMHSD11B1
SCHEMBL4384743 0.79 SCN9A (0.39) PKMHTR2AHTR2C

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 HCRTR1 222/4885HCRTR2 143/4885LIPE 2501/4885

“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.