SCHEMBL1986370

SCHEMBL1986370

CC(C)c1ccccc1Oc1nc(C(=O)NC(C)c2cc(F)c(NS(C)(=O)=O)c(F)c2)co1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
PDE2A O00408 11/20 0.37
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RY1 P47900 1/20 0.35

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
SCHEMBL12697429 1.00 KCNQ3 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL1658901 0.88 KCNQ3 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL12563253 0.87 PDE2A (0.42) PDE2AHSD17B10NPSR1P2RY1
SCHEMBL12604090 0.87 PDE2A (0.39) PDE2AHSD17B10NPSR1P2RY1
SCHEMBL12521205 0.86 P2RY1 (0.34) KCNQ3KCNQ2KCNQ4KCNQ5HSD17B10
SCHEMBL1987320 0.85 NLRP3 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL12604740 0.85 NPC1 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL1989707 0.85 NPC1 (0.39) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL12603593 0.85 PDE2A (0.39) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL1986283 0.85 PDE2A (0.39) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A

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 2 patents. 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 claimed
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 KCNQ3 364/4885KCNQ2 398/4885KCNQ4 457/4885

“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.