SCHEMBL1989707

SCHEMBL1989707

CC(NC(=O)c1coc(Oc2cccc3cccnc23)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
GLO1 Q04760 1/20 0.36
PDE2A O00408 5/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
SLC40A1 Q9NP59 3/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL12604740 1.00 NPC1 (0.39) NPC1MAPK1RAB9AADORA2AADORA1
SCHEMBL12563307 0.88 NPC1 (0.42) NPC1MAPK1RAB9AADORA2AADORA1
SCHEMBL1658901 0.87 KCNQ3 (0.37) NPC1MAPK1RAB9APDE2AKCNQ3
SCHEMBL1986370 0.85 KCNQ3 (0.37) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12697429 0.85 KCNQ3 (0.37) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL1990032 0.85 RAB9A (0.49) NPC1MAPK1RAB9AHTTPDE2A
SCHEMBL12604737 0.85 RAB9A (0.49) NPC1MAPK1RAB9AHTTPDE2A
SCHEMBL12605014 0.83 KCNQ3 (0.38) NPC1MAPK1RAB9APDE2AKCNQ3
SCHEMBL12603597 0.83 PDE2A (0.39) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12697445 0.83 SCN9A (0.40) MAPK1HTTPDE2AKCNQ3KCNQ2

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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 NPC1 1037/4885MAPK1 2212/4885RAB9A 1477/4885

“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.