SCHEMBL3624060

SCHEMBL3624060

CC(C)(C)OC(=O)Nc1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
METTL3 Q86U44 1/20 0.38
CFD P00746 3/20 0.36
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
P2RX3 P56373 3/20 0.35
BRD4 O60885 1/20 0.34
CNR2 P34972 1/20 0.34
RORC P51449 1/20 0.33
CDK9 P50750 1/20 0.33
CMA1 P23946 1/20 0.33
LCK P06239 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL3618311 0.90 MKNK2 (0.39) P2RX7CFDKCNQ4KCNQ5
SCHEMBL3620169 0.88 METTL3 (0.40) METTL3CFDCMA1NOTUM
SCHEMBL3620073 0.87 METTL3 (0.38) P2RX7METTL3CFD
SCHEMBL3626656 0.86 METTL3 (0.40) P2RX7METTL3CFDP2RX3CMA1
SCHEMBL3619765 0.83 METTL3 (0.38) P2RX7METTL3CFDCMA1NOTUM
SCHEMBL3618423 0.82 METTL3 (0.39) METTL3CFDRORCCMA1NOTUM
SCHEMBL3620072 0.82 METTL3 (0.39) METTL3CFDCMA1NOTUM
SCHEMBL3618417 0.81 METTL3 (0.39) METTL3CFDCMA1NOTUM
SCHEMBL3623481 0.81 METTL3 (0.41) P2RX7METTL3CFDCMA1NOTUM
SCHEMBL3628451 0.81 METTL3 (0.42) P2RX7METTL3CFDCMA1NOTUM

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 6 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 claimed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 US claimed
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 P2RX7 3362/4885METTL3 3971/4885CFD 4484/4885

“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.