SCHEMBL272006

SCHEMBL272006

O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL265117 0.88 MEN1 (0.55) POLBMEN1KMT2AALDH1A1CYP3A4
SCHEMBL238958 0.82 MEN1 (0.68) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL265841 0.81 MEN1 (0.53) POLBMEN1KMT2AALDH1A1TSHR
Water SCHEMBL28099770 0.81 MEN1 (0.66) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL21710428 0.81 KMT2A (0.66) POLBMEN1KMT2AALDH1A1CYP3A4
SCHEMBL264500 0.80 MEN1 (0.61) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL5868474 0.80 MAPT (0.45) POLBMEN1KMT2AALDH1A1CYP3A4
SCHEMBL5868584 0.79 MAPT (0.41) POLBMEN1KMT2AALDH1A1CYP3A4
SCHEMBL264956 0.78 MEN1 (0.63) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL5868472 0.78 MAPK1 (0.47) POLBMEN1KMT2AALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 POLB 549/4885MEN1 4765/4885KMT2A 1292/4885

“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.