SCHEMBL6090276

SCHEMBL6090276

O=C1CCN2c3c1cccc3C(=O)NC2c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM5 P08912 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
SCHEMBL6091636 0.85 PARP1 (0.40) HTR2CHTR2BKDM4EALDH1A1CHRM5
SCHEMBL6089877 0.83 PARP1 (0.39) HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6090523 0.82 TNKS2 (0.39) HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6089480 0.81 TNKS2 (0.42) HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6091873 0.81 MEN1 (0.42) HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6091051 0.81 PARP1 (0.34) HCRTR1HCRTR2HTR2CHTR2B
SCHEMBL6093312 0.81 PARP1 (0.34) HCRTR1HCRTR2HTR2CHTR2B
SCHEMBL6090916 0.81 PARP1 (0.34) HCRTR1HCRTR2HTR2CHTR2B
SCHEMBL6091303 0.81 PARP1 (0.34) HCRTR1HCRTR2HTR2CHTR2B
SCHEMBL6090229 0.78 ALDH1A1 (0.41) HTR2CHTR2BKDM4EALDH1A1

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 HCRTR1 4803/4885HCRTR2 4806/4885HTR2C 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.