SCHEMBL1908184

SCHEMBL1908184

Cn1c(=O)c2c(-c3ccccc3)c(-c3ccc(C4(NC(=O)O)CCC4)cc3)oc2n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 5/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
PDE2A O00408 3/20 0.33
TACR3 P29371 2/20 0.33
DPP4 P27487 1/20 0.32
PTGS2 P35354 1/20 0.32
SSTR4 P31391 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL14118644 0.89 AKT1 (0.42) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL1901743 0.83 PDE2A (0.35) SCN9APDE2ATACR3SSTR4ADORA2B
SCHEMBL14120192 0.83 CHEK1 (0.37) ALDH1A1HPGDHSD17B10SCN9APDE2A
SCHEMBL12677205 0.83 AKT1 (0.43)
SCHEMBL1907804 0.81 PDE2A (0.34) ALDH1A1SCN9AITGB1ITGA4ITGB7
SCHEMBL1902450 0.81 ALDH1A1 (0.35) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL1904734 0.81 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10SCN9APDE2A
SCHEMBL1904033 0.80 AURKA (0.37) ALDH1A1KDM4EHPGDHSD17B10PDE2A
SCHEMBL14118880 0.80 SCN9A (0.36) ALDH1A1HPGDHSD17B10SCN9APDE2A
SCHEMBL1902096 0.80 PTPN11 (0.39) ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 4803/4885KDM4E 2856/4885LMNA 3189/4885

“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.