SCHEMBL6090282

SCHEMBL6090282

O=C1CCN2c3c1cccc3C(=O)NC2c1cc(C(F)(F)F)cs1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
HTR2A P28223 2/20 0.32
ATM Q13315 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALOX5 P09917 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
SCHEMBL6091057 0.83 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL6093323 0.83 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL6091310 0.83 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL6090922 0.83 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL6091636 0.82 PARP1 (0.40) HTR2CHTR2BHTR2AATMMAPT
SCHEMBL6090523 0.74 TNKS2 (0.39) HTR2CHTR2BHTR2AATMMAPT
SCHEMBL6089877 0.73 PARP1 (0.39) HTR2CHTR2BATMMAPTLMNA
SCHEMBL6092128 0.73 HTR2C (0.34) HTR2CHTR2BATMMAPTLMNA
SCHEMBL6090276 0.72 HCRTR1 (0.32) HTR2CHTR2B
SCHEMBL6090378 0.72 KDM4E (0.36) HTR2CHTR2BHTR2AATMMAPT

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 HTR2C 3206/4885HTR2B 2595/4885HTR2A 2462/4885

“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.