SCHEMBL1647766

SCHEMBL1647766

O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
AKR1C3 P42330 1/20 0.56
MEN1 O00255 2/20 0.54
POLB P06746 3/20 0.54
SIRT6 Q8N6T7 2/20 0.54
MAPT P10636 2/20 0.53
HTR1A P08908 1/20 0.51
ALDH1A1 P00352 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ADRB1 P08588 1/20 0.50

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
SCHEMBL5726222 0.91 MEN1 (0.63) KMT2AMEN1POLBSIRT6MAPT
SCHEMBL28241 0.89 KMT2A (0.60) KMT2ATDP1AKR1C3MEN1POLB
SCHEMBL16848710 0.87 POLB (0.55) KMT2ATDP1AKR1C3MEN1POLB
SCHEMBL26706687 0.85 POLB (0.54) KMT2ATDP1MEN1POLBSIRT6
SCHEMBL29986826 0.85 SIRT6 (0.64) KMT2AMEN1POLBSIRT6MAPT
SCHEMBL26706272 0.85 MEN1 (0.67) KMT2AMEN1POLBSIRT6MAPT
SCHEMBL26706271 0.83 MEN1 (0.61) KMT2AMEN1POLBSIRT6MAPT
SCHEMBL520686 0.82 SIRT6 (0.68) KMT2AMEN1POLBSIRT6MAPT
SCHEMBL29986317 0.82 SIRT6 (0.59) KMT2AMEN1POLBSIRT6MAPT
SCHEMBL16195539 0.80 KMT2A (0.72) KMT2ATDP1AKR1C3MEN1POLB

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 KMT2A 3693/4885TDP1 2131/4885AKR1C3 61/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 KMT2A 1472/4885TDP1 3533/4885AKR1C3 31/4885

“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.