SCHEMBL266697

SCHEMBL266697

O=[N+]([O-])c1cc([N+](=O)[O-])c(-n2c3ccccc3c3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL5922853 0.89 MAPT (0.48) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL18109234 0.84 TDP1 (0.55) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL7515416 0.81 ALDH1A1 (0.57) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL265351 0.76 TDP1 (0.51) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL31238056 0.76 TDP1 (0.51) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL266696 0.76 MAPT (0.38) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL25540526 0.74 MAPT (0.48) TDP1TSHRMEN1KMT2AALDH1A1
SCHEMBL3107098 0.74 ATM (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29442065 0.74 TDP1 (0.50) TDP1KMT2AALDH1A1MAPTLMNA
SCHEMBL869478 0.74 TDP1 (0.50) TDP1KMT2AALDH1A1MAPTLMNA

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 7 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 claimed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP claimed
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 TDP1 2260/4885TSHR 4696/4885MEN1 4765/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 TDP1 2260/4885TSHR 4696/4885MEN1 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.