SCHEMBL648546

SCHEMBL648546

[O-][N+]1(Cc2ccc(Oc3ncccn3)cc2)CCC(O)(C(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PDE2A O00408 8/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE3A Q14432 1/20 0.35
MMP9 P14780 3/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34
MMP14 P50281 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
NR1I2 O75469 1/20 0.32
MMP13 P45452 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL646602 0.90 CHRM5 (0.40) PDE2APDE5APDE1APDE3AMMP9
SCHEMBL647369 0.82 SLC6A4 (0.36) PDE2AMMP9MMP2MMP3MMP8
SCHEMBL646388 0.80 KCNH2 (0.48) MMP9MMP1MMP2MMP3MMP8
SCHEMBL647940 0.71 KCNH2 (0.48) RXRAGRIN1GRIN2BMMP9MMP1
SCHEMBL648176 0.70 PRCP (0.49) MMP9MMP1MMP2MMP3MMP8
SCHEMBL5012784 0.69 PDE2A (0.39) RXRAGRIN1GRIN2BPDE2APDE5A
SCHEMBL646801 0.65 SLC6A2 (0.43) PDE2AMMP9MMP1MMP3MMP8
SCHEMBL648828 0.64 BCHE (0.51) SLC6A2SLC6A4KCNH2
SCHEMBL645215 0.61 LMNA (0.51) MMP9MMP3MMP8MMP14SLC6A2
SCHEMBL5012790 0.61 SLC6A2 (0.44) MMP9MMP1MMP2MMP3MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 RXRA 1256/4885GRIN1 1733/4885GRIN2B 1957/4885

“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.