SCHEMBL6089398

SCHEMBL6089398

CCOC(=O)COc1ccc(C2NC(=O)c3cccc4c3N2CCC4=NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 1/20 0.41
PTPN1 P18031 1/20 0.38
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6089391 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EALOX15PTPN1
SCHEMBL6091124 0.89 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EALOX15PTPN1
SCHEMBL6090265 0.83 GPR174 (0.36) ALDH1A1MAPTKDM4EGAAUSP2
SCHEMBL6090498 0.82 TNKS2 (0.38) ALDH1A1MAPTKDM4EALOX15GAA
SCHEMBL6090492 0.82 TNKS2 (0.38) ALDH1A1MAPTKDM4EALOX15GAA
SCHEMBL6090522 0.81 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EALOX15PTPN1
SCHEMBL6091091 0.81 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EALOX15PTPN1
SCHEMBL6090262 0.80 HTR2C (0.31) ALDH1A1KDM4E
SCHEMBL6090599 0.79 TNKS2 (0.35) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL6092450 0.78 MEN1 (0.38) ALDH1A1MAPTKDM4EGAAHPGD

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 ALDH1A1 1890/4885MAPT 497/4885KDM4E 812/4885

“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.