SCHEMBL8174658

SCHEMBL8174658

O=C(O)Cc1cn(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.58
MCL1 Q07820 4/20 0.56
RORC P51449 2/20 0.47
SCN9A Q15858 3/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC25A P30304 1/20 0.45
TNF P01375 1/20 0.45
PLK1 P53350 3/20 0.43

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
SCHEMBL8454150 0.84 HTR7 (0.56) HTR7RORCSCN9AALDH1A1LMNA
SCHEMBL13931127 0.83 HTR7 (0.43) HTR7MCL1RORCSCN9AALDH1A1
SCHEMBL6952151 0.80 PLA2G4A (0.56) HTR7RORCSCN9ACDC25A
SCHEMBL13931128 0.79 CDC25A (0.42) HTR7MCL1RORCALDH1A1LMNA
SCHEMBL28379252 0.78 SCN9A (0.65) HTR7SCN9ATNF
SCHEMBL8173558 0.77 ALDH1A1 (0.50) HTR7MCL1RORCSCN9AALDH1A1
SCHEMBL8173717 0.77 PLK1 (0.42) HTR7MCL1RORCSCN9AALDH1A1
SCHEMBL8175039 0.77 ALDH1A1 (0.42) HTR7MCL1RORCSCN9AALDH1A1
SCHEMBL27519888 0.77 SCN9A (0.51) HTR7RORCSCN9AALDH1A1TNF
SCHEMBL8174649 0.75 ALDH1A1 (0.57) HTR7MCL1RORCALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS HTR7 4326/4885MCL1 2836/4885RORC 426/4885

“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.