SCHEMBL1645440

SCHEMBL1645440

CCC(C)OC(=O)C(C(=O)O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
MAPT P10636 6/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2732414 0.85 MAPT (0.48) NPC1MAPTRAB9AKDM4ECYP2C19
SCHEMBL7503286 0.82 CYP2C19 (0.51) NPC1MAPTRAB9AKDM4ECYP2C19
SCHEMBL2644412 0.82 MAPT (0.34) MAPTALDH1A1
SCHEMBL4279302 0.81 MAPT (0.43) NPC1MAPTKDM4EGAAALDH1A1
SCHEMBL12985769 0.81 MAPT (0.39) MAPTRAB9AKDM4EALDH1A1KMT2A
SCHEMBL2728552 0.80 CYP1A2 (0.47) NPC1MAPTRAB9ACYP2C19GAA
SCHEMBL2728549 0.80 CYP1A2 (0.47) NPC1MAPTRAB9ACYP2C19GAA
SCHEMBL1964920 0.80 MAPT (0.39) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL25347026 0.80 CYP2C19 (0.46) NPC1MAPTRAB9AKDM4ECYP2C19
SCHEMBL9375643 0.79 CYP2C19 (0.48) NPC1MAPTRAB9AKDM4ECYP2C19

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 NPC1 173/4885MAPT 1771/4885RAB9A 2410/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 NPC1 876/4885MAPT 2950/4885RAB9A 2787/4885

“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.