SCHEMBL1645330

SCHEMBL1645330

O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)c1c(C2CCOCC2)cc2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
TSHR P16473 2/20 0.39
BDKRB1 P46663 1/20 0.39
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PANK3 Q9H999 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
SCHEMBL1646577 0.93 BDKRB1 (0.45) ALDH1A1KDM4EHSD17B10THRBNPSR1
SCHEMBL1645466 0.92 BDKRB1 (0.46) ALDH1A1KDM4EHPGDHSD17B10THRB
SCHEMBL1644347 0.90 MAPT (0.42) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL1646300 0.88 DRD2 (0.41) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL2232054 0.88 MAPT (0.42) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL1646674 0.86 MAPT (0.39) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL1644920 0.85 MAPT (0.42) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL1647299 0.83 KDM4E (0.39) ALDH1A1KDM4EHSD17B10NPSR1MAPT
SCHEMBL1647637 0.83 MAPT (0.40) ALDH1A1KDM4ENPSR1MAPTLMNA
SCHEMBL2229594 0.83 BDKRB1 (0.39) ALDH1A1KDM4EHSD17B10NPSR1MAPT

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
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
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 ALDH1A1 2813/4885KDM4E 2593/4885HPGD 3452/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885KDM4E 1543/4885HPGD 3047/4885

“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.