SCHEMBL1645949

SCHEMBL1645949

O=C(Nc1ccc(N2CCN(CCc3ccco3)CC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
HTR1A P08908 5/20 0.41
DRD2 P14416 5/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13438880 0.94 ALDH1A1 (0.51) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438993 0.88 MAPT (0.45) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438883 0.84 HTR1A (0.51) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438884 0.83 HTT (0.45) MAPTALDH1A1HTTLMNATHRB
SCHEMBL1645660 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1646045 0.83 MAPT (0.58) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1647396 0.82 MAPT (0.51) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL13438882 0.82 MAPT (0.46) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1646841 0.82 ALDH1A1 (0.58) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL1646414 0.82 MAPT (0.66) MAPTALDH1A1HTTLMNAL3MBTL1

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 14 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 claimed
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 claimed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US claimed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP claimed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US claimed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO claimed
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
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
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 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
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 MAPT 1771/4885ALDH1A1 2813/4885HTT 1809/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885ALDH1A1 318/4885HTT 3347/4885

“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.