SCHEMBL4896089

SCHEMBL4896089

COc1nc(NC(=O)C2COc3ccccc3O2)c(C(=O)OC(C)(C)C)n1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 5/20 0.44
TSHR P16473 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MAPK10 P53779 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 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
SCHEMBL4789183 0.90 NPC1 (0.49) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL3288928 0.85 L3MBTL1 (0.46) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL4788680 0.81 MAPT (0.45) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL3441603 0.81 L3MBTL1 (0.48) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL3441807 0.74 L3MBTL1 (0.47) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL4894672 0.73 MAPK14 (0.34) L3MBTL1HTTKDM4ENPC1RAB9A
SCHEMBL4891117 0.73 ENPP2 (0.40) KDM4EMAPTTSHR
SCHEMBL4885880 0.73 CNR1 (0.39) L3MBTL1ALDH1A1KDM4EHPGDNPC1
SCHEMBL3573057 0.73 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1NPSR1KDM4E
SCHEMBL4892082 0.73 MAPT (0.47) L3MBTL1HTTALDH1A1NPSR1KDM4E

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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 L3MBTL1 4541/4885HTT 4092/4885ALDH1A1 2271/4885

“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.