SCHEMBL2713637

SCHEMBL2713637

CCOC(=O)c1ccc(OCC(F)(F)F)nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
F10 P00742 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 3/20 0.39
FOS P01100 2/20 0.39
JUN P05412 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
GABRA5 P31644 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1313709 0.87 TSHR (0.49) F10L3MBTL1TSHRALDH1A1NPC1
SCHEMBL2715201 0.86 L3MBTL1 (0.50) KDM4EL3MBTL1TSHRALDH1A1NPC1
SCHEMBL3804006 0.85 POLB (0.43) KDM4EF10L3MBTL1NPSR1NPC1
SCHEMBL2716873 0.78 TDP1 (0.48) L3MBTL1TSHRALDH1A1NPC1RAB9A
SCHEMBL2718820 0.77 L3MBTL1 (0.55) KDM4EF10L3MBTL1NPSR1ALDH1A1
SCHEMBL31193929 0.76 KDM4E (0.55) KDM4EL3MBTL1TSHRNPSR1ALDH1A1
SCHEMBL496086 0.76 CRHR1 (0.43) KDM4EJAK2JAK3NPSR1ALDH1A1
SCHEMBL21079023 0.75 L3MBTL1 (0.47) KDM4EL3MBTL1TSHRALDH1A1NPC1
SCHEMBL2716761 0.75 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2LMNAPOLB
SCHEMBL15358621 0.75 L3MBTL1 (0.49) KDM4EL3MBTL1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A KDM4E 1168/4885F10 4175/4885L3MBTL1 2429/4885

“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.