SCHEMBL2680108

SCHEMBL2680108

COc1c(C)cc(-c2ccccc2)c(N)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
SQOR Q9Y6N5 1/20 0.40
FYN P06241 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KCNA3 P22001 1/20 0.38
ESR2 Q92731 1/20 0.38
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BACE1 P56817 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL27833081 0.84 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL5070401 0.81 ALOX5AP (0.37) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL2212734 0.76 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL2203934 0.75 FYN (0.50) PDE4BPDE4APDE4CPDE4DFYN
SCHEMBL6535962 0.75 ALDH1A1 (0.40) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL1903608 0.74 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL7205617 0.74 ALOX5AP (0.44) PDE4BPDE4APDE4CPDE4DFYN
SCHEMBL29801662 0.74 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL2206286 0.73 ESR2 (0.42) PDE4BPDE4APDE4CPDE4DSQOR
SCHEMBL27544380 0.73 ESR2 (0.42) PDE4BPDE4APDE4CPDE4DSQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 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-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 PDE4B 2981/4885PDE4A 2847/4885PDE4C 2812/4885

“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.