SCHEMBL6090735

SCHEMBL6090735

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
ESR1 P03372 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSD P07339 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL6088637 1.00 PARP1 (0.37) PARP1PARP2ESR1CYP11B1CYP11B2
SCHEMBL6092079 0.88 PARP1 (0.45) PARP1TNKS2HTR2CHTR2BHTR2A
SCHEMBL6091026 0.88 PARP1 (0.45) PARP1TNKS2HTR2CHTR2BHTR2A
SCHEMBL6091992 0.86 PARP1 (0.35) PARP1HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6089696 0.86 TNKS2 (0.39) PARP1TNKS2HTR2CHTR2BHTR2A
SCHEMBL6090413 0.86 PARP1 (0.35) PARP1HTR2CHTR2BHTR2AALDH1A1
SCHEMBL6090392 0.86 TNKS2 (0.39) PARP1TNKS2HTR2CHTR2BHTR2A
SCHEMBL6091303 0.86 PARP1 (0.34) PARP1HTR2CHTR2B
SCHEMBL6090916 0.86 PARP1 (0.34) PARP1HTR2CHTR2B
SCHEMBL6091051 0.86 PARP1 (0.34) PARP1HTR2CHTR2B

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 PARP1 1/4885PARP2 2/4885ESR1 2745/4885

“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.