SCHEMBL265117

SCHEMBL265117

O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
POLB P06746 2/20 0.55
HSP90AA1 P07900 1/20 0.43
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL272006 0.88 POLB (0.61) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL238958 0.88 MEN1 (0.68) MEN1KMT2APOLBHSP90AA1MAPT
Water SCHEMBL28099770 0.87 MEN1 (0.66) MEN1KMT2APOLBHSP90AA1MAPT
SCHEMBL265841 0.86 MEN1 (0.53) MEN1KMT2APOLBHSP90AA1MAPT
SCHEMBL265920 0.86 MEN1 (0.59) MEN1KMT2APOLBHSP90AA1MAPT
Alcohol SCHEMBL28281654 0.81 KMT2A (0.59) MEN1KMT2APOLBHSP90AA1MAPT
SCHEMBL16893221 0.79 MEN1 (0.47) MEN1KMT2APOLBHSP90AA1MAPT
SCHEMBL266152 0.78 MEN1 (0.51) MEN1KMT2APOLBHSP90AA1MAPT
SCHEMBL12305500 0.77 KMT2A (0.45) MEN1KMT2APOLBHSP90AA1MAPT
SCHEMBL21710428 0.76 KMT2A (0.66) MEN1KMT2APOLBHSP90AA1MAPT

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 10 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
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US claimed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US claimed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US 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 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.