SCHEMBL3289003

SCHEMBL3289003

COCC(C)(C)OC(=O)c1c(N)nc(OC)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 8/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 6/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 3/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL4897401 0.89 MAPT (0.43) MAPK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3441886 0.84 ALDH1A1 (0.37) MAPK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3286170 0.84 ALDH1A1 (0.37) MAPK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3290470 0.75 NTRK1 (0.42) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL3287173 0.73 L3MBTL1 (0.43) MAPK1ALDH1A1MAPTKDM4EGAA
SCHEMBL3285313 0.70 MAPT (0.36) MAPK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3441813 0.69 ALDH1A1 (0.39) MAPK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3287425 0.69 HCAR1 (0.39) MAPK1ALDH1A1MAPTKDM4EHPGD
SCHEMBL3441717 0.69 KDM4E (0.43) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL9928673 0.68 TSHR (0.52) MAPK1ALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 MAPK1 2524/4885ALDH1A1 1225/4885MAPT 2262/4885

“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.