SCHEMBL2390951

SCHEMBL2390951

O=[N+]([O-])c1ccc2c(c1)Oc1ccc([N+](=O)[O-])cc1O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
CA9 Q16790 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
HSD17B10 Q99714 1/20 0.48
PTPRC P08575 1/20 0.47
S100A4 P26447 1/20 0.47
GPR35 Q9HC97 2/20 0.45
CYP3A4 P08684 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 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
SCHEMBL5798781 0.94 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2ACA9
Methanesulfonamide SCHEMBL8012477 0.87 CA2 (0.47) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL4233516 0.83 CA9 (0.62) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL3857441 0.82 MEN1 (0.46) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL11370046 0.81 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL11377685 0.81 MEN1 (0.47) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL5798312 0.80 MEN1 (0.45) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL28750078 0.80 CYP19A1 (0.43) ALDH1A1MEN1MAPTKMT2ACA9
SCHEMBL10346886 0.79 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL29636440 0.79 MEN1 (0.59) ALDH1A1MEN1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 US disclosed
US-7605277-B2 N,N'-Di(1-naphthyl)-N,N'-diphenyl-2,6-diaminodibenzodioxin; organic electroelement hole-transporting layer, light-emitting material, a host materialor dopant in the light-emitting layer,a hole-blocking layer, an electron-transporting layer;high luminous efficiency; high heat resistance; durability NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-10-20 US disclosed
US-7605277-B2 N,N'-Di(1-naphthyl)-N,N'-diphenyl-2,6-diaminodibenzodioxin; organic electroelement hole-transporting layer, light-emitting material, a host materialor dopant in the light-emitting layer,a hole-blocking layer, an electron-transporting layer;high luminous efficiency; high heat resistance; durability NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-10-20 US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 US disclosed
US-20070129555-A1 Aminodibenzodioxin derivative and organic electroluminescent using the same NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129555-A1 Aminodibenzodioxin derivative and organic electroluminescent using the same NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2007-06-07 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 (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-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same ORC3, NAP1L4, NR4A2 ALDH1A1 1372/4885MEN1 1211/4885MAPT 4097/4885

“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.