SCHEMBL4299530

SCHEMBL4299530

COC(CNc1ncccc1[N+](=O)[O-])OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 7/20 0.60
LMNA P02545 1/20 0.58
MAPT P10636 7/20 0.54
RAB9A P51151 5/20 0.54
PKM P14618 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NFKB1 P19838 2/20 0.49
MAPK1 P28482 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALDH1A1 P00352 5/20 0.49
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL9693387 0.82 MAPT (0.63) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL930101 0.81 NPC1 (0.58) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL4034758 0.79 NPC1 (0.62) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL2554503 0.79 LMNA (0.67) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL13316559 0.78 LMNA (0.53) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL16563162 0.78 LMNA (0.73) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL10352588 0.78 MAPT (0.54) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL3846429 0.77 TXNRD1 (0.49) MAPTRAB9AMAPK1
SCHEMBL14099477 0.77 MAPT (0.68) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL9276000 0.77 MAPT (0.51) MEN1KMT2ANPC1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 (1 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ MEN1 3474/4885KMT2A 2825/4885NPC1 389/4885

“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.