SCHEMBL264435

SCHEMBL264435

O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1[N]n1c2ccccc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.47
CTSB P07858 1/20 0.46
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 8/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL265772 0.89 LMNA (0.46) LMNACTSBKMT2AL3MBTL1SMN1; SMN2
SCHEMBL264436 0.78 LMNA (0.47) LMNAHTTCTSBKMT2AL3MBTL1
SCHEMBL266167 0.68 HTT (0.47) LMNAHTTCTSBKMT2AL3MBTL1
SCHEMBL5168397 0.67 CTSB (0.62) LMNAHTTCTSBKMT2AL3MBTL1
SCHEMBL11516802 0.67 HTT (0.61) LMNAHTTKMT2AL3MBTL1MAPT
SCHEMBL265773 0.67 LMNA (0.46) LMNACTSBKMT2AL3MBTL1SMN1; SMN2
SCHEMBL4871412 0.64 CTSB (1.00) LMNAHTTCTSBKMT2AL3MBTL1
SCHEMBL9770600 0.64 LMNA (0.60) LMNACTSBKMT2ASMN1; SMN2MEN1
SCHEMBL2206983 0.63 CTSB (0.68) LMNAHTTCTSBKMT2AL3MBTL1
SCHEMBL30779614 0.63 CTSB (0.68) LMNAHTTCTSBKMT2AL3MBTL1

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 4861/4885HTT 2077/4885CTSB 4228/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 LMNA 4861/4885HTT 2077/4885CTSB 4228/4885

“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.