SCHEMBL2715531

SCHEMBL2715531

Cc1ccc(OCC(F)(F)F)nc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
MBOAT4 Q96T53 4/20 0.37
CNR2 P34972 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
IL1B P01584 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGDS O60760 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
SCHEMBL26421188 0.80 ACACB (0.37) SMN1; SMN2KDM4EMEN1LMNAKMT2A
SCHEMBL22595338 0.77 L3MBTL1 (0.41) L3MBTL1CNR2CYP11B1CYP11B2SMN1; SMN2
SCHEMBL18554843 0.76 L3MBTL1 (0.41) L3MBTL1CNR2SMN1; SMN2KDM4EIL1B
SCHEMBL23595059 0.74 RECQL (0.44) KMT2ATDP1
SCHEMBL18611217 0.74 L3MBTL1 (0.40) L3MBTL1CNR2SMN1; SMN2IL1BPTGS1
SCHEMBL18611234 0.73 L3MBTL1 (0.39) L3MBTL1CNR2SMN1; SMN2IL1BPTGS1
SCHEMBL4550406 0.73 L3MBTL1 (0.39) L3MBTL1CNR2SMN1; SMN2KDM4EIL1B
SCHEMBL23559730 0.73 KDM4E (0.36) L3MBTL1SMN1; SMN2CTSSCTSKKDM4E
Hydrochloric Acid SCHEMBL2713056 0.72 L3MBTL1 (0.38) L3MBTL1CNR2SMN1; SMN2KDM4EIL1B
Hydrochloric Acid SCHEMBL28389529 0.72 L3MBTL1 (0.40) L3MBTL1CNR2SMN1; SMN2IL1BPTGS1

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 8 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
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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 L3MBTL1 2429/4885MBOAT4 2049/4885CNR2 360/4885

“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.