SCHEMBL6089474

SCHEMBL6089474

O=C1NC(c2ccc([N+](=O)[O-])cc2)N2CCC(=NO)c3cccc1c32

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HTR7 P34969 1/20 0.34
GPR174 Q9BXC1 1/20 0.32
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
THRB P10828 1/20 0.32
TTR P02766 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SCN2A Q99250 1/20 0.32

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
SCHEMBL6089473 1.00 KDM4E (0.44) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL6090917 0.87 MEN1 (0.40) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL6090911 0.87 MEN1 (0.40) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL6090599 0.86 TNKS2 (0.35) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL6090604 0.86 TNKS2 (0.35) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL6090498 0.85 TNKS2 (0.38) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL6092454 0.85 MEN1 (0.38) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL6092450 0.85 MEN1 (0.38) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL6091167 0.85 PARP1 (0.42) KDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL6090492 0.85 TNKS2 (0.38) KDM4EGAAKMT2AMEN1SMN1; SMN2

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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 (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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 KDM4E 812/4885GAA 2522/4885KMT2A 274/4885

“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.