SCHEMBL3109136

SCHEMBL3109136

FN(c1ccccc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 3/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 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
SCHEMBL3108859 0.76 KMT2A (0.38) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL6911977 0.74 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL30947663 0.74 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL728216 0.74 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL9144289 0.72 TSHR (0.47) ALDH1A1TSHRL3MBTL1MAPTTDP1
Hydrochloric Acid SCHEMBL2773310 0.72 NPSR1 (0.36) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL17260384 0.71 KMT2A (0.43) ALDH1A1TSHRMAPTTDP1CYP3A4
SCHEMBL4033878 0.70 MEN1 (0.42) ALDH1A1TSHRL3MBTL1KDM4ECYP3A4
SCHEMBL1965021 0.70 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1MAPTTDP1
SCHEMBL21248011 0.70 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1MAPTTDP1

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 9 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
EP-0304936-A2 Heat sensitive paper Kao Corporation (JP) 1989-03-01 EP 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 ALDH1A1 3113/4885TSHR 4222/4885L3MBTL1 4718/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 ALDH1A1 3113/4885TSHR 4222/4885L3MBTL1 4718/4885

“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.