Sugi Predict

Sugi Predict / Compounds / SCHEMBL2230728

SCHEMBL2230728

SCHEMBL2230728

COCc1cc(NC(=O)C(=O)c2c(C3CCCC3)cc3ccccn23)ccc1N1CCN(c2cc(C)cc(C)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RBP4 P02753 3/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30

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
SCHEMBL1645781 0.99 LMNA (0.34) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2230614 0.94 ALDH1A1 (0.39) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27836896 0.89 PHGDH (0.37) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2232028 0.89 MAPT (0.38) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL27836750 0.89 PHGDH (0.37) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1645673 0.88 LMNA (0.38) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1645771 0.87 MAPT (0.47) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1646752 0.87 LMNA (0.35) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1644898 0.87 MAPT (0.46) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1646224 0.85 MAPT (0.38) LMNAMAPTALDH1A1HTTSMN1; SMN2

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
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 — — EP disclosed
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
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 — — CN disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 — — US disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 — — CN 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 LMNA 3870/4885MAPT 1771/4885ALDH1A1 2813/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 LMNA 1805/4885MAPT 2950/4885ALDH1A1 318/4885

“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.