SCHEMBL265772

SCHEMBL265772

O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1[N]n1c2ccccc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 3/20 0.45
POLB P06746 2/20 0.43
CTSB P07858 1/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL264435 0.89 LMNA (0.47) LMNAKMT2AMEN1POLBCTSB
SCHEMBL265773 0.77 LMNA (0.46) LMNAKMT2AMEN1GAAPOLB
SCHEMBL5341061 0.69 LMNA (0.54) LMNAKMT2AMEN1GAAPOLB
SCHEMBL264436 0.67 LMNA (0.47) LMNAKMT2AMEN1POLBCTSB
SCHEMBL4873406 0.66 CTSB (0.66) LMNAGAAPOLBCTSBAR
SCHEMBL11514460 0.66 ALDH1A1 (0.52) LMNAGAAPOLBALDH1A1MAPK1
SCHEMBL358014 0.65 ALDH1A1 (0.61) LMNAKMT2AMEN1GAAPOLB
SCHEMBL11435069 0.64 ALDH1A1 (0.50) LMNAKMT2AGAAPOLBALDH1A1
SCHEMBL11514148 0.63 ALDH1A1 (0.64) LMNAKMT2AMEN1GAAPOLB
SCHEMBL11515831 0.63 ALDH1A1 (0.64) LMNAKMT2AMEN1GAAPOLB

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 LMNA 4861/4885KMT2A 1292/4885MEN1 4765/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 LMNA 4861/4885KMT2A 1292/4885MEN1 4765/4885

“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.