SCHEMBL267326

SCHEMBL267326

O=C(NC1CCCCC1)c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HCAR3 P49019 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL264956 0.79 MEN1 (0.63) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL266715 0.77 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL264276 0.75 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL18687515 0.72 POLB (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
Dinitrophenylene SCHEMBL27647742 0.72 NPC1 (0.62) ALDH1A1POLBNPC1RAB9APKM
SCHEMBL31546620 0.72 POLB (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL19145050 0.72 POLB (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL12443203 0.72 LMNA (0.62) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL238958 0.72 MEN1 (0.68) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL13634180 0.72 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAHTT

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 ALDH1A1 377/4885MEN1 4765/4885KMT2A 1292/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 ALDH1A1 377/4885MEN1 4765/4885KMT2A 1292/4885

“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.