SCHEMBL4550406

SCHEMBL4550406

Cc1ccc(OCC(F)(F)F)nc1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
CNR2 P34972 1/20 0.35
NUDT1 P36639 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 4/20 0.33
SCN9A Q15858 2/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
PDE4B Q07343 1/20 0.33
IL1B P01584 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 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
Hydrochloric Acid SCHEMBL2713056 0.98 L3MBTL1 (0.38) L3MBTL1CNR2NUDT1SMN1; SMN2POLB
SCHEMBL18266400 0.89 NUDT1 (0.37) NUDT1PDE4BIL1BCYP1A2
SCHEMBL18611217 0.85 L3MBTL1 (0.40) L3MBTL1CNR2NUDT1SMN1; SMN2POLB
SCHEMBL18554843 0.80 L3MBTL1 (0.41) L3MBTL1CNR2NUDT1SMN1; SMN2POLB
SCHEMBL22595338 0.78 L3MBTL1 (0.41) L3MBTL1CNR2NUDT1SMN1; SMN2POLB
SCHEMBL4550309 0.77 L3MBTL1 (0.39) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1
Hydrochloric Acid SCHEMBL2716406 0.76 L3MBTL1 (0.38) L3MBTL1NUDT1SMN1; SMN2POLBMAPK1
SCHEMBL18611234 0.74 L3MBTL1 (0.39) L3MBTL1CNR2NUDT1SMN1; SMN2POLB
SCHEMBL28130150 0.74 L3MBTL1 (0.46) L3MBTL1CNR2POLBMAPK1MAPT
SCHEMBL2715531 0.73 L3MBTL1 (0.38) L3MBTL1CNR2SMN1; SMN2IL1BMEN1

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 2429/4885CNR2 360/4885NUDT1 884/4885

“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.