SCHEMBL2230935

SCHEMBL2230935

COCCOc1cc(C)[n+]([O-])c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
MAPT P10636 10/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ENPP2 Q13822 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 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
SCHEMBL941921 0.87 SIRT6 (0.55) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1645083 0.79 MAPT (0.47) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1646266 0.76 MAPT (0.45) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4434501 0.73 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL14764435 0.71 MAPT (0.60) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5743491 0.71 SIRT6 (0.63) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL116052 0.70 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL2550023 0.69 MAPT (0.72) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL15271381 0.68 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6151230 0.68 SIRT6 (0.81) SIRT6MAPTALDH1A1LMNASMN1; 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 4 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

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 1636/4885MAPT 1771/4885ALDH1A1 2813/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 SIRT6 1321/4885MAPT 2950/4885ALDH1A1 318/4885

“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.