SCHEMBL6090730

SCHEMBL6090730

N[C@H]1CCN2c3c(cccc31)C(=O)N[C@@H]2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.35
PARP1 P09874 3/20 0.35
HTR2C P28335 5/20 0.35
HTR2B P41595 5/20 0.35
HTR2A P28223 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
ADRA2C P18825 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
HTR3A P46098 1/20 0.32
PDE4D Q08499 1/20 0.32
EEF2K O00418 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6089791 1.00 TNKS2 (0.35) TNKS2PARP1HTR2CHTR2BHTR2A
SCHEMBL6090413 0.90 PARP1 (0.35) PARP1HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6090392 0.90 TNKS2 (0.39) TNKS2PARP1HTR2CHTR2BHTR2A
SCHEMBL6089696 0.90 TNKS2 (0.39) TNKS2PARP1HTR2CHTR2BHTR2A
SCHEMBL6091992 0.90 PARP1 (0.35) PARP1HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6089150 0.89 MEN1 (0.39) PARP1HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6090211 0.89 ALDH1A1 (0.45) TNKS2PARP1HTR2CHTR2BALDH1A1
SCHEMBL6092437 0.89 ALDH1A1 (0.45) TNKS2PARP1HTR2CHTR2BALDH1A1
SCHEMBL6092215 0.89 MEN1 (0.39) PARP1HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6091026 0.89 PARP1 (0.45) TNKS2PARP1HTR2CHTR2BHTR2A

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 TNKS2 15/4885PARP1 1/4885HTR2C 3206/4885

“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.