SCHEMBL4550334

SCHEMBL4550334

CC(F)(F)COc1ccc(CN)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN9A Q15858 1/20 0.34
LOXL2 Q9Y4K0 4/20 0.34
LOX P28300 2/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.34
DGAT1 O75907 3/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ACACB O00763 1/20 0.33
NUDT1 P36639 1/20 0.33
FFAR1 O14842 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
Hydrochloric Acid SCHEMBL2714396 0.98 L3MBTL1 (0.39) L3MBTL1POLBMAPK1SCN9ALOXL2
SCHEMBL3890599 0.86 L3MBTL1 (0.53) L3MBTL1POLBMAPK1SCN9ALOXL2
SCHEMBL30939139 0.86 L3MBTL1 (0.53) L3MBTL1POLBMAPK1SCN9ALOXL2
Hydrochloric Acid SCHEMBL2713855 0.85 L3MBTL1 (0.51) L3MBTL1POLBMAPK1SCN9ALOXL2
Hydrochloric Acid SCHEMBL5012085 0.85 L3MBTL1 (0.51) L3MBTL1POLBMAPK1SCN9ALOXL2
SCHEMBL2714106 0.83 L3MBTL1 (0.43) L3MBTL1POLBMAPK1SCN9AMAPT
SCHEMBL1461744 0.83 L3MBTL1 (0.36) L3MBTL1LOXL2LOXMAPTDGAT1
SCHEMBL18266635 0.83 L3MBTL1 (0.40) L3MBTL1POLBMAPK1SCN9ALOXL2
SCHEMBL4550753 0.83 L3MBTL1 (0.40) L3MBTL1POLBMAPK1SCN9ALOXL2
Hydrochloric Acid SCHEMBL2714047 0.82 L3MBTL1 (0.39) L3MBTL1POLBMAPK1SCN9ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US 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 2429/4885POLB 4126/4885MAPK1 3779/4885

“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.