SCHEMBL266574

SCHEMBL266574

O=C1c2ccccc2C(=O)N1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
CTDSP1 Q9GZU7 1/20 0.70
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SCN2A Q99250 2/20 0.47
CYP1A2 P05177 2/20 0.45
NTRK1 P04629 1/20 0.44
NGFR P08138 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL11862182 0.82 MEN1 (1.00) MEN1KMT2ACTDSP1ALDH1A1MAPT
SCHEMBL9305057 0.76 MEN1 (0.62) MEN1KMT2ACTDSP1ALDH1A1MAPT
SCHEMBL31238056 0.73 TDP1 (0.51) MEN1KMT2ACTDSP1ALDH1A1MAPT
SCHEMBL265351 0.73 TDP1 (0.51) MEN1KMT2ACTDSP1ALDH1A1MAPT
SCHEMBL9306130 0.73 MEN1 (0.66) MEN1KMT2ACTDSP1ALDH1A1KDM4E
SCHEMBL27850810 0.71 MEN1 (0.51) MEN1KMT2ACTDSP1ALDH1A1MAPT
Nitrobenzene SCHEMBL28301918 0.70 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTHSP90AA1
Biphenyl SCHEMBL3314037 0.70 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL28843998 0.70 MEN1 (0.57) MEN1KMT2ACTDSP1ALDH1A1MAPT
SCHEMBL11156657 0.69 KMT2A (0.79) MEN1KMT2AALDH1A1MAPTHSP90AA1

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 MEN1 4765/4885KMT2A 1292/4885CTDSP1 2862/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 MEN1 4765/4885KMT2A 1292/4885CTDSP1 2862/4885

“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.