SCHEMBL267701

SCHEMBL267701

O=[N+]([O-])c1c(N(Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(N(Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1N(Nc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
CRHBP P24387 1/20 0.41
ATM Q13315 1/20 0.41
CRHR2 Q13324 1/20 0.41
TLR9 Q9NR96 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL302395 0.80 MEN1 (0.49) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL27539620 0.79 KMT2A (0.42) KMT2AMEN1POLBALDH1A1L3MBTL1
Water SCHEMBL9709472 0.79 MEN1 (0.48) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL6373877 0.77 MEN1 (0.59) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL267039 0.74 SMN1; SMN2 (0.47) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL1794087 0.74 SMN1; SMN2 (0.47) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL28577189 0.73 KMT2A (0.56) KMT2AMEN1POLBALDH1A1RAB9A
Hydrochloric Acid SCHEMBL11380546 0.72 SMN1; SMN2 (0.45) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL8488710 0.71 MEN1 (0.44) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL12305511 0.70 HTT (0.46) KMT2AMEN1POLBALDH1A1L3MBTL1

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 KMT2A 1292/4885MEN1 4765/4885POLB 549/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 KMT2A 1292/4885MEN1 4765/4885POLB 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.