SCHEMBL266517

SCHEMBL266517

O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccc(S(=O)(=O)O)cc2)c2ccc(S(=O)(=O)O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.39
NSD2 O96028 1/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL15259450 0.86 MEN1 (0.56) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL266107 0.83 KMT2A (0.76) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL267113 0.82 MEN1 (0.58) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL238958 0.81 MEN1 (0.68) KMT2AMEN1POLBALDH1A1TDP1
Water SCHEMBL28099770 0.80 MEN1 (0.66) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL15258187 0.80 MEN1 (0.45) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL267303 0.77 POLB (0.49) KMT2AMEN1POLBALDH1A1GAA
Alcohol SCHEMBL28281654 0.77 KMT2A (0.59) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL265920 0.77 MEN1 (0.59) KMT2AMEN1POLBALDH1A1TDP1
SCHEMBL266152 0.76 MEN1 (0.51) KMT2AMEN1POLBALDH1A1TDP1

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 KMT2A 1292/4885MEN1 4765/4885POLB 549/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 KMT2A 1292/4885MEN1 4765/4885POLB 549/4885

“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.