SCHEMBL2230614

SCHEMBL2230614

COCc1cc(NC(=O)C(=O)c2c(C3CCOCC3)cc3ccccn23)ccc1N1CCN(c2cc(C)cc(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
AKT1 P31749 3/20 0.36
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
GBA1 P04062 2/20 0.33
NAPEPLD Q6IQ20 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE10A Q9Y233 1/20 0.33
USP2 O75604 1/20 0.33
PIK3CB P42338 2/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RAF1 P04049 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2230728 0.94 LMNA (0.34) ALDH1A1LMNAMAPTHTTAKT1
SCHEMBL1645781 0.93 LMNA (0.34) ALDH1A1LMNAMAPTHTTAKT1
SCHEMBL1647298 0.90 ALDH1A1 (0.43) ALDH1A1LMNAMAPTHTTPIK3CD
SCHEMBL1644920 0.86 MAPT (0.42) ALDH1A1LMNAMAPTHTTPIK3CD
SCHEMBL1645771 0.85 MAPT (0.47) ALDH1A1LMNAMAPTHTTAKT1
SCHEMBL1646752 0.85 LMNA (0.35) ALDH1A1LMNAMAPTHTTAKT1
SCHEMBL1647637 0.84 MAPT (0.40) ALDH1A1LMNAMAPTHTTPIK3CD
SCHEMBL1644898 0.84 MAPT (0.46) ALDH1A1LMNAMAPTHTTGBA1
SCHEMBL27836896 0.83 PHGDH (0.37) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL2232028 0.83 MAPT (0.38) ALDH1A1LMNAMAPTHTTGBA1

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-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 ALDH1A1 2813/4885LMNA 3870/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885LMNA 1805/4885MAPT 2950/4885

“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.