SCHEMBL1644979

SCHEMBL1644979

O=[N+]([O-])c1ccc(N2CCN(CCc3ccco3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 3/20 0.60
NPBWR1 P48145 1/20 0.60
MCHR1 Q99705 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ATM Q13315 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNJ1 P48048 2/20 0.45
KCNH2 Q12809 2/20 0.45
CRBN Q96SW2 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PANK3 Q9H999 1/20 0.43

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
SCHEMBL1644609 0.91 MAPT (0.66) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL1644607 0.82 HTR1A (0.54) MAPTKMT2AKCNJ1KCNH2
SCHEMBL1644575 0.80 HTR1A (0.44) ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL6704714 0.76 ALDH1A1 (0.97) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL1682842 0.76 MAPT (0.68) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL23612286 0.75 MAPT (0.60) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL1725016 0.75 MAPT (0.60) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL1644981 0.75 MAPT (0.66) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL2254367 0.74 MAPT (0.59) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL854731 0.74 MAPT (0.74) MAPTALDH1A1NPBWR1MCHR1L3MBTL1

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
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
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 2813/4885NPBWR1 2246/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885ALDH1A1 318/4885NPBWR1 4281/4885

“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.