SCHEMBL3577339

SCHEMBL3577339

Nc1ccc([N+](=O)[O-])c2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
HTT P42858 5/20 0.52
LMNA P02545 2/20 0.52
AXL P30530 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT8 Q9H7Z6 1/20 0.51
POLB P06746 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
GSK3B P49841 1/20 0.44
HASPIN Q8TF76 1/20 0.44
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL11817125 0.87 MAPT (0.64) MAPTHTTLMNAPOLBALDH1A1
SCHEMBL31451862 0.79 MAPT (0.54) MAPTHTTLMNAAXLPOLB
SCHEMBL14589059 0.79 MAPT (0.52) MAPTHTTLMNAPOLBALDH1A1
SCHEMBL1351778 0.79 MAPT (0.56) MAPTHTTLMNAPOLBALDH1A1
SCHEMBL13483429 0.79 MAPT (0.52) MAPTHTTLMNAPOLBALDH1A1
SCHEMBL5921938 0.79 CTSB (0.61) MAPTHTTLMNAEP300KAT2B
SCHEMBL619318 0.79 MAPT (0.52) MAPTHTTLMNAPOLBALDH1A1
SCHEMBL7106466 0.79 MAPT (0.54) MAPTHTTLMNAAXLPOLB
SCHEMBL5894746 0.77 AXL (0.72) MAPTHTTLMNAAXLEP300
SCHEMBL9284399 0.76 LMNA (0.68) MAPTHTTLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP disclosed
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2004-08-12 US disclosed
WO-2004007459-A2 NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 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 (3 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-20060270693-A1 Ether derivative UROD, IL5, IL17A MAPT 694/4885HTT 2520/4885LMNA 4055/4885
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 MAPT 1322/4885HTT 3950/4885LMNA 724/4885
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 MAPT 3341/4885HTT 2953/4885LMNA 3162/4885

“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.