SCHEMBL1644607

SCHEMBL1644607

O=[N+]([O-])c1ccc(N2CCN(CCc3ccco3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
KCNJ1 P48048 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.49

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
SCHEMBL1646672 0.90 POLB (0.57) SIRT6POLB
SCHEMBL1644979 0.82 MAPT (0.60) KCNJ1KCNH2MAPTKMT2A
SCHEMBL1646348 0.80 MAPT (0.50) HTR1APOLBMAPTKMT2A
SCHEMBL10359671 0.80 KCNJ1 (0.82) HTR1AKCNJ1KCNH2SIRT6POLB
SCHEMBL28070640 0.78 POLB (0.64) HTR1AKCNJ1KCNH2SIRT6POLB
SCHEMBL1127345 0.77 SIRT6 (0.49) KCNJ1KCNH2SIRT6POLBMAPT
SCHEMBL12431530 0.77 MAPT (0.70) HTR1AKCNJ1KCNH2SIRT6POLB
SCHEMBL12610815 0.76 KCNJ1 (0.75) HTR1AKCNJ1KCNH2MAPT
SCHEMBL4248033 0.76 SIRT6 (0.64) HTR1AKCNJ1KCNH2SIRT6POLB
SCHEMBL15599506 0.76 POLB (0.64) HTR1AKCNJ1KCNH2SIRT6POLB

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 HTR1A 716/4885KCNJ1 540/4885KCNH2 943/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HTR1A 2971/4885KCNJ1 69/4885KCNH2 357/4885

“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.