SCHEMBL6089948

SCHEMBL6089948

N[C@@H]1CCN2c3c(cccc31)C(=O)N[C@H]2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN2A Q99250 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
PARP1 P09874 1/20 0.33
GPR174 Q9BXC1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TTR P02766 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NR4A1 P22736 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
SCHEMBL6091578 1.00 KDM4E (0.42) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6091154 1.00 KDM4E (0.42) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6092123 1.00 KDM4E (0.42) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6090392 0.85 TNKS2 (0.39) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6091992 0.85 PARP1 (0.35) KDM4EALDH1A1PARP1
SCHEMBL6089696 0.85 TNKS2 (0.39) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL6090413 0.85 PARP1 (0.35) KDM4EALDH1A1PARP1
SCHEMBL6089791 0.85 TNKS2 (0.35) KDM4EALDH1A1PARP1
SCHEMBL6090730 0.85 TNKS2 (0.35) KDM4EALDH1A1PARP1
SCHEMBL6089150 0.84 MEN1 (0.39) KDM4EGAAMEN1KMT2ASMN1; 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 2522/4885MEN1 2771/4885

“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.