SCHEMBL2230940

SCHEMBL2230940

CC(C)(C(=O)CBr)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.53
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD11B1 P28845 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CES1 P23141 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1645915 0.81 PTPRC (0.54) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL1646651 0.79 TDP1 (0.52) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL1647740 0.79 MAPK1 (0.55) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL2814601 0.77 MAPT (0.55) ALDH1A1POLBMAPK1KMT2AMAPT
SCHEMBL27030782 0.77 ALDH1A1 (0.53) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL2231525 0.77 ALDH1A1 (0.49) GSK3BALDH1A1POLBMAPK1MEN1
SCHEMBL677959 0.76 HSD17B10 (0.56) ALDH1A1POLBMAPK1MAPTHSD11B1
SCHEMBL4440575 0.75 GSK3B (0.47) GSK3BALDH1A1POLBMAPK1MEN1
SCHEMBL5331421 0.75 PTPN1 (0.47) GSK3BALDH1A1MAPK1MEN1KMT2A
SCHEMBL5674575 0.75 ALDH1A1 (0.49) ALDH1A1POLBMAPK1MEN1KMT2A

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
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US 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 GSK3B 608/4885ALDH1A1 2813/4885POLB 4825/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 GSK3B 1872/4885ALDH1A1 318/4885POLB 4855/4885

“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.