SCHEMBL1646752

SCHEMBL1646752

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
AKT1 P31749 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 3/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL27836752 0.89 PHGDH (0.38) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1646734 0.89 MAPT (0.39) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1645771 0.88 MAPT (0.47) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2230728 0.87 LMNA (0.34) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1644898 0.86 MAPT (0.46) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1645781 0.86 LMNA (0.34) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2230614 0.85 ALDH1A1 (0.39) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1646393 0.85 MAPT (0.39) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2231087 0.83 MAPT (0.38) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1647374 0.80 MAPT (0.48) 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 8 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
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP 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
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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 (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.