SCHEMBL3618311

SCHEMBL3618311

CCOC(=O)c1cc(NC(=O)OC(C)(C)C)c2ccc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.39
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
P2RX7 Q99572 1/20 0.37
CFD P00746 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PDE3B Q13370 5/20 0.35
PDE3A Q14432 5/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3624060 0.90 P2RX7 (0.39) KCNQ4KCNQ5P2RX7CFD
SCHEMBL13316646 0.88 CFD (0.37) P2RX7CFDALDH1A1KDM4EGLA
SCHEMBL13316642 0.85 PDE3B (0.38) CFDALDH1A1KDM4EGLAGAA
SCHEMBL3620368 0.84 PDE3B (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13316648 0.82 PDE3B (0.38) P2RX7CFDALDH1A1KDM4EGLA
SCHEMBL13316622 0.81 PDE3B (0.41) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13316644 0.81 PDE3B (0.41) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL3627969 0.81 PDE3B (0.41) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13316621 0.80 PDE3B (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL13316620 0.80 METTL3 (0.39) ALDH1A1KDM4EGLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 US 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-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 MKNK2 1465/4885KCNQ4 3257/4885KCNQ5 2381/4885

“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.