SCHEMBL4301431

SCHEMBL4301431

COC(Cc1ccnc(N)c1[N+](=O)[O-])OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
LMNA P02545 5/20 0.37
HTT P42858 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MGMT P16455 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL4297309 0.80 MAPT (0.35) MAPTLMNAHTTMITFSMN1; SMN2
SCHEMBL5145767 0.80 MAPT (0.47) MAPTLMNAHTTKDM4EMITF
SCHEMBL8565117 0.78 MAPT (0.39) MAPTLMNAHTTKDM4EMITF
SCHEMBL8558130 0.76 NOS2 (0.44) MAPTLMNAHTTKDM4EMITF
SCHEMBL9995175 0.75 HTT (0.42) MAPTLMNAHTTKDM4EMITF
SCHEMBL8598075 0.75 HTT (0.42) MAPTLMNAHTTKDM4EMITF
SCHEMBL27766587 0.74 HTT (0.44) MAPTLMNAHTTKDM4EMITF
SCHEMBL14764478 0.73 MEN1 (0.54) MAPTLMNAHTTKDM4EMITF
SCHEMBL29871162 0.73 MEN1 (0.54) MAPTLMNAHTTKDM4EMITF
SCHEMBL9987621 0.73 HTT (0.40) MAPTLMNAHTTKDM4EMITF

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 MAPT 3830/4885LMNA 905/4885HTT 2702/4885

“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.