SCHEMBL1645682

SCHEMBL1645682

O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.54
PKM P14618 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP17A1 P05093 1/20 0.53
CYP21A2 P08686 1/20 0.53
CYP11B1 P15538 1/20 0.53
CHRM1 P11229 1/20 0.52
CTSK P43235 1/20 0.50
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL28669252 0.83 POLB (0.62) GAAPKMALDH1A1CYP17A1CYP21A2
SCHEMBL2233973 0.82 POLB (0.58) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL1711126 0.80 HSD11B1 (0.70) HSD11B1KMT2AMEN1MAPTGAA
SCHEMBL11508440 0.78 POLB (0.75) HSD11B1KMT2AMEN1MAPTGAA
SCHEMBL25587669 0.78 CYP3A4 (0.55) HSD11B1CYP17A1CYP21A2CYP11B1CHRM1
SCHEMBL173610 0.78 NAMPT (0.80)
SCHEMBL25586684 0.78 HTT (0.59) HSD11B1MAPTGAAPKMCYP17A1
SCHEMBL334128 0.77 MGLL (0.67) HSD11B1KMT2AMEN1MAPTGAA
SCHEMBL27797530 0.76 MAPT (0.46) HSD11B1KMT2AMEN1MAPTGAA
SCHEMBL19248153 0.75 HSD11B1 (1.00) HSD11B1KMT2AMEN1MAPTGAA

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 HSD11B1 454/4885KMT2A 3693/4885MEN1 221/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HSD11B1 1887/4885KMT2A 1472/4885MEN1 281/4885

“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.