SCHEMBL1646935

SCHEMBL1646935

CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 3/20 0.67
GAA P10253 2/20 0.66
LMNA P02545 1/20 0.62
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL6487280 0.96 MAPT (0.63) MAPTALDH1A1GAALMNARAB9A
SCHEMBL8947150 0.87 GAA (0.67) MAPTALDH1A1GAALMNARAB9A
SCHEMBL716408 0.86 MEN1 (0.61) MAPTALDH1A1GAALMNARAB9A
SCHEMBL11677530 0.84 ALDH1A1 (0.60) MAPTALDH1A1GAALMNARAB9A
SCHEMBL13149442 0.82 TDP1 (0.77) ALDH1A1GAALMNARAB9ANPC1
SCHEMBL26757984 0.81 MAPT (0.50) MAPTALDH1A1GAALMNARAB9A
SCHEMBL276340 0.81 LMNA (0.59) MAPTALDH1A1GAALMNARAB9A
SCHEMBL12562041 0.80 MAPT (0.59) MAPTALDH1A1GAALMNARAB9A
SCHEMBL833589 0.80 NPC1 (0.68) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL3955088 0.80 MAPT (0.62) MAPTALDH1A1GAALMNARAB9A

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 22 patents — showing the first 20. 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
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
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
US-4683232-A N,N-DIMETHYL-P-(2,3-DIHYDRO-2-OXO-6H-1,3,4 OXADIAZIN-2-YLBENZAMIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-28 US disclosed
US-4503054-A VASODILATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-05 US disclosed
US-4423045-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-27 US disclosed
EP-0052442-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-26 EP disclosed
US-4225617-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-09-30 US disclosed
US-4209524-A CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4209523-A TREATMENT OF THE CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1980-06-24 US disclosed
US-4183951-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1980-01-15 US disclosed
US-4152458-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1979-05-01 US disclosed
US-4151300-A CENTRAL NERVOUS SYSTEM, PSYCHOTROPIC LABORATOIRE L. LAFON (FR) 1979-04-24 US disclosed
US-4122186-A PSYCHOTROPIC AGENTS LABORATOIRE L. LAFON (FR) 1978-10-24 US 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 MAPT 1771/4885ALDH1A1 2813/4885GAA 1536/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885ALDH1A1 318/4885GAA 228/4885

“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.