SCHEMBL13622016

SCHEMBL13622016

COc1nc(NCCCOCc2ccccc2)nc(OC)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
HTR7 P34969 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTT P42858 1/20 0.36
APP P05067 1/20 0.36
GBA1 P04062 1/20 0.36
MPO P05164 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL4610548 0.92 KCNH3 (0.43) KCNH3TDP1L3MBTL1TLR8TLR7
SCHEMBL13622014 0.82 MAPT (0.48) KCNH3TDP1L3MBTL1MAPTKMT2A
SCHEMBL4610708 0.74 MAPT (0.43) KCNH3L3MBTL1MAPTMEN1KMT2A
SCHEMBL11698011 0.72 APP (0.56) MAPTHTTAPP
SCHEMBL13752391 0.72 TLR8 (0.42) KCNH3TLR8TLR7KMT2AGBA1
SCHEMBL11675736 0.71 ALDH1A1 (0.57) KCNH3TDP1L3MBTL1MAPTHTT
SCHEMBL13743236 0.70 L3MBTL1 (0.37) TDP1L3MBTL1TLR8TLR7MAPT
SCHEMBL10757363 0.69 TSHR (0.52) TDP1L3MBTL1HTTHRH4HRH3
SCHEMBL11129540 0.69 TSHR (0.52) TDP1L3MBTL1MAPTHTR1AADRA1A
SCHEMBL14621844 0.69 P2RX3 (0.37) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291915-A1 Silicon Compounds and Their Use TAKEDA CAMBRIDGE LIMITED (GB) 2009-11-26 US disclosed
US-20090291915-A1 Silicon Compounds and Their Use TAKEDA CAMBRIDGE LIMITED (GB) 2009-11-26 US 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-20090291915-A1 Silicon Compounds and Their Use SOST, SIK2, SIK3 KCNH3 1315/4885TDP1 2971/4885L3MBTL1 2510/4885

“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.