SCHEMBL266167

SCHEMBL266167

O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1NN(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.42
CTSB P07858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL264436 0.77 LMNA (0.47) HTTKMT2APOLBMEN1LMNA
SCHEMBL264549 0.74 MEN1 (0.56) HTTKMT2APOLBMEN1LMNA
SCHEMBL238958 0.70 MEN1 (0.68) HTTKMT2APOLBMEN1LMNA
Water SCHEMBL28099770 0.69 MEN1 (0.66) HTTKMT2APOLBMEN1LMNA
SCHEMBL21710428 0.69 KMT2A (0.66) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL264435 0.68 LMNA (0.47) HTTKMT2APOLBMEN1LMNA
SCHEMBL11516802 0.68 HTT (0.61) HTTKMT2APOLBLMNAMAPT
SCHEMBL266107 0.67 KMT2A (0.76) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL264956 0.67 MEN1 (0.63) KMT2APOLBMEN1LMNAMAPT
SCHEMBL9770634 0.66 LMNA (0.53) HTTKMT2AMEN1LMNAMAPT

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 HTT 2077/4885KMT2A 1292/4885POLB 549/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 HTT 2077/4885KMT2A 1292/4885POLB 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.