SCHEMBL6089041

SCHEMBL6089041

CON=C1CCN2c3c(cccc31)C(=O)NC2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ROCK2 O75116 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GUSB P08236 1/20 0.31
TNKS2 Q9H2K2 2/20 0.31
TNKS O95271 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
SCHEMBL6089038 1.00 ESR1 (0.36) ESR1PARP1PARP2MAPTMEN1
SCHEMBL6090493 0.83 BRD4 (0.36) MEN1KMT2AHTR2CHTR2BALDH1A1
SCHEMBL6090917 0.83 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6090911 0.83 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6090501 0.83 BRD4 (0.36) MEN1KMT2AHTR2CHTR2BALDH1A1
SCHEMBL6091636 0.83 PARP1 (0.40) ESR1PARP1PARP2MAPTMEN1
SCHEMBL6091800 0.82 ALDH1A1 (0.44) MAPTKMT2AHPGDALDH1A1GAA
SCHEMBL6091794 0.82 ALDH1A1 (0.44) MAPTKMT2AHPGDALDH1A1GAA
SCHEMBL6090899 0.80 KDM4E (0.40) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6090914 0.80 MAPT (0.40) ESR1MAPTMEN1KMT2AHPGD

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

“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.