SCHEMBL1648931

SCHEMBL1648931

O=[N+]([O-])c1ccc(N2CCN(c3ccc(CN4CCOCC4)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.83
ALDH1A1 P00352 3/20 0.83
KCNJ1 P48048 2/20 0.83
MAPT P10636 2/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
POLB P06746 2/20 0.69
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
AKR1C3 P42330 1/20 0.60
KDM4E B2RXH2 1/20 0.58
SIRT6 Q8N6T7 1/20 0.55

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
SCHEMBL445885 0.93 ALDH1A1 (0.97) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL14726057 0.91 ALDH1A1 (1.00) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL16370438 0.91 ALDH1A1 (0.94) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL29388956 0.90 ALDH1A1 (0.97) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL1019655 0.87 ALDH1A1 (0.63) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL25368316 0.86 POLB (0.73) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL15347670 0.86 POLB (0.73) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL11549718 0.84 POLB (0.71) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL11556051 0.84 POLB (0.71) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2
SCHEMBL11551844 0.84 POLB (0.71) LMNAALDH1A1KCNJ1MAPTSMN1; SMN2

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 11 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
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN 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 LMNA 3870/4885ALDH1A1 2813/4885KCNJ1 540/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 LMNA 1805/4885ALDH1A1 318/4885KCNJ1 69/4885

“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.