SCHEMBL265689

SCHEMBL265689

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nn2c3ccccc3c3cc(Cl)ccc32)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
PDE7A Q13946 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL265351 0.90 TDP1 (0.51) MAPTTSHRTDP1MEN1KMT2A
SCHEMBL31238056 0.90 TDP1 (0.51) MAPTTSHRTDP1MEN1KMT2A
SCHEMBL5922853 0.81 MAPT (0.48) MAPTTSHRTDP1MEN1KMT2A
SCHEMBL265717 0.78 MEN1 (0.44) MAPTTSHRTDP1MEN1KMT2A
SCHEMBL264917 0.77 TDP1 (0.50) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL266414 0.76 MAPT (0.43) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL266697 0.68 TDP1 (0.56) MAPTTSHRTDP1MEN1KMT2A
SCHEMBL266219 0.68 MAPT (0.38) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL29127703 0.66 KMT2A (0.54) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL5922851 0.66 MAPT (0.37) MAPTTSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 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 (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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 MAPT 3864/4885TSHR 4696/4885TDP1 2260/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 MAPT 3864/4885TSHR 4696/4885TDP1 2260/4885

“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.