SCHEMBL264956

SCHEMBL264956

O=C(O)c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
HCAR3 P49019 8/20 0.49
CASP6 P55212 1/20 0.49
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL266715 0.89 MEN1 (0.60) MEN1KMT2APOLBHCAR3CASP6
SCHEMBL264276 0.86 MEN1 (0.57) MEN1KMT2APOLBMAPTGAA
SCHEMBL238958 0.83 MEN1 (0.68) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL21710428 0.82 KMT2A (0.66) MEN1KMT2APOLBMAPTALDH1A1
Water SCHEMBL28099770 0.82 MEN1 (0.66) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL266107 0.80 KMT2A (0.76) MEN1KMT2APOLBCASP6MAPT
SCHEMBL267326 0.79 ALDH1A1 (0.52) MEN1KMT2APOLBHCAR3MAPT
Alcohol SCHEMBL28281654 0.79 KMT2A (0.59) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL272006 0.78 POLB (0.61) MEN1KMT2APOLBMAPTGAA
SCHEMBL264500 0.78 MEN1 (0.61) MEN1KMT2APOLBMAPTALDH1A1

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