SCHEMBL266414

SCHEMBL266414

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nn2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TLR9 Q9NR96 2/20 0.43
XBP1 P17861 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MITF O75030 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
HPGD P15428 3/20 0.37
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL266219 0.81 MAPT (0.38) MAPTALDH1A1LMNANPSR1NPC1
SCHEMBL31238056 0.79 TDP1 (0.51) MAPTALDH1A1LMNANPSR1NPC1
SCHEMBL265351 0.79 TDP1 (0.51) MAPTALDH1A1LMNANPSR1NPC1
SCHEMBL265773 0.78 LMNA (0.46) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL264917 0.77 TDP1 (0.50) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL264436 0.77 LMNA (0.47) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL265689 0.76 MAPT (0.45) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL264549 0.70 MEN1 (0.56) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL7644871 0.69 TSHR (0.62) MAPTALDH1A1HPGDCYP3A4GPR35
SCHEMBL414254 0.68 TDP1 (0.54) MAPTALDH1A1LMNANPSR1NPC1

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 MAPT 3864/4885ALDH1A1 377/4885LMNA 4861/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 MAPT 3864/4885ALDH1A1 377/4885LMNA 4861/4885

“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.