SCHEMBL16799807

SCHEMBL16799807

O=C(O)c1cccc(-n2cc([N+](=O)[O-])cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
TP53 P04637 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
F2 P00734 2/20 0.53
PLAU P00749 2/20 0.53
ELANE P08246 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 2/20 0.50
CASP6 P55212 2/20 0.50
HPGDS O60760 1/20 0.50
ALKBH2 Q6NS38 1/20 0.50
HSP90AA1 P07900 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL186625 0.86 MEN1 (0.58) KEAP1NFE2L2TP53MEN1KMT2A
SCHEMBL25347365 0.84 ALKBH2 (0.61) KEAP1NFE2L2TP53NPC1RAB9A
SCHEMBL30729451 0.82 ALDH1A1 (0.51) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL224389 0.81 HSP90AA1 (0.62) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL22095038 0.80 HPGDS (0.56) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL26696761 0.79 HSP90AA1 (0.48) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL22633155 0.79 KEAP1 (0.56) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL21816235 0.78 MEN1 (0.75) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL31175282 0.78 MEN1 (0.75) KEAP1NFE2L2MEN1KMT2ANPC1
SCHEMBL21934939 0.77 MEN1 (0.60) KEAP1NFE2L2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
EP-3076789-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS The Scripps Research Institute (US) 2016-10-12 EP disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 WO disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 WO 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-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS MAPK3, MAP3K3, MAP3K2 KEAP1 353/4885NFE2L2 251/4885TP53 1978/4885

“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.