SCHEMBL1646512

SCHEMBL1646512

O=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.65
POLB P06746 1/20 0.65
MAPT P10636 5/20 0.64
ALDH1A1 P00352 6/20 0.60
ADRB1 P08588 1/20 0.60
TRIM24 O15164 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
AKR1C3 P42330 1/20 0.54

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
SCHEMBL6151230 0.87 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL15271381 0.87 SIRT6 (0.81) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL1126953 0.84 MEN1 (0.64) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL1157 0.83 APP (0.61) MAPTALDH1A1LMNA
SCHEMBL3077544 0.83 TRIM24 (0.83) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL2561698 0.83 TRIM24 (0.83) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL4507720 0.83 SIRT6 (0.65) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL7048817 0.82 MAPT (0.85) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL9651198 0.81 MAPT (0.77) SIRT6POLBMAPTALDH1A1ADRB1
SCHEMBL28981615 0.81 APP (0.59) MAPTALDH1A1LMNASMN1; 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 7 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
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

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 SIRT6 1636/4885POLB 4825/4885MAPT 1771/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 SIRT6 1321/4885POLB 4855/4885MAPT 2950/4885

“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.