SCHEMBL3109129

SCHEMBL3109129

Fc1ccccc1[N]C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
MAPT P10636 5/20 0.34
NPC1 O15118 4/20 0.34
GAA P10253 3/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LRRK2 Q5S007 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
PDK2 Q15119 2/20 0.33
NFE2L2 Q16236 2/20 0.33
USP2 O75604 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 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
SCHEMBL3190941 0.78 ACHE (0.41) ACHEMAPTNPC1GAAMAPK1
SCHEMBL3108854 0.78 ACHE (0.39) ACHEMAPTNPC1GAAMAPK1
SCHEMBL3094612 0.73 HTR3E (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28714237 0.73 MAPT (0.52) ACHEMAPTNPC1GAAMAPK1
SCHEMBL28714238 0.73 MAPT (0.52) ACHEMAPTNPC1GAAMAPK1
SCHEMBL306539 0.70
SCHEMBL5537663 0.70 ALDH1A1 (0.39) ACHEMAPTNPC1GAAMAPK1
SCHEMBL2724225 0.70 ALDH1A1 (0.48) KDM4EL3MBTL1MEN1KMT2AHPGD
SCHEMBL3110354 0.69
SCHEMBL1547450 0.69

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
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US claimed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US claimed
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
EP-1945029-A2 INHIBITORS OF ION CHANNELS Icagen, Inc. (US) 2008-07-23 EP disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 US disclosed
WO-2007056099-A2 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2007-05-18 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 (2 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 ACHE 479/4885MAPT 2938/4885NPC1 897/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 ACHE 479/4885MAPT 2938/4885NPC1 897/4885

“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.