SCHEMBL4120541

SCHEMBL4120541

CCCc1nc(C)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GRM5 P41594 1/20 0.47
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
BRD4 O60885 3/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL3942081 0.92 TSHR (0.43) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL8283853 0.83 TSHR (0.50) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL3869852 0.83 L3MBTL1 (0.49) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL12226851 0.83 L3MBTL1 (0.49) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL4502335 0.83 MAPT (0.49) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL2610404 0.81 L3MBTL1 (0.46) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL1093052 0.80 P4HTM (0.49) L3MBTL1MAPTTDP1SMN1; SMN2HPGD
SCHEMBL16491623 0.79 HTT (0.59) L3MBTL1MAPTMAPK1TDP1GRM5
SCHEMBL8192704 0.78 LTA4H (0.57) L3MBTL1MAPTMAPK1TDP1GRM5
SCHEMBL1092363 0.77 NOTUM (0.44) SMN1; SMN2HPGDBRD4FFAR4NPC1

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-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 TSHR 1147/4885L3MBTL1 3496/4885MAPT 3204/4885

“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.