SCHEMBL266038

SCHEMBL266038

O=[N+]([O-])c1cc([N+](=O)[O-])c(N(Nc2nccs2)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
DNMT1 P26358 1/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.39
POLB P06746 3/20 0.39
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL266037 0.79 MEN1 (0.49) NPC1MAPTKDM4ELMNADNMT1
SCHEMBL302395 0.79 MEN1 (0.49) NPC1MAPTKDM4ELMNAALDH1A1
Water SCHEMBL9709472 0.77 MEN1 (0.48) NPC1MAPTKDM4ELMNAALDH1A1
SCHEMBL27760213 0.72 MEN1 (0.44) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL5922850 0.71 MEN1 (0.50) MAPTKDM4EALDH1A1RAB9AKMT2A
SCHEMBL238958 0.71 MEN1 (0.68) NPC1MAPTKDM4ELMNAALDH1A1
SCHEMBL8488710 0.71 MEN1 (0.44) MAPTKDM4ELMNAALDH1A1RAB9A
Water SCHEMBL28099770 0.70 MEN1 (0.66) NPC1MAPTKDM4ELMNAALDH1A1
Nitrobenzene SCHEMBL27591249 0.69 NPC1 (0.55) NPC1MAPTKDM4ELMNADNMT1
SCHEMBL6807736 0.68 MGLL (0.49) NPC1MAPTKDM4ELMNAALDH1A1

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 NPC1 4725/4885MAPT 3864/4885KDM4E 3421/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 NPC1 4725/4885MAPT 3864/4885KDM4E 3421/4885

“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.