SCHEMBL3623481

SCHEMBL3623481

CNCc1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.41
CFD P00746 9/20 0.39
NOTUM Q6P988 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CMA1 P23946 2/20 0.36
P2RX7 Q99572 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KLKB1 P03952 2/20 0.35

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
SCHEMBL3627435 0.92 CFD (0.42) METTL3CFDP2RX7
SCHEMBL3628451 0.92 METTL3 (0.42) METTL3CFDNOTUMCMA1P2RX7
SCHEMBL3624957 0.91 CFD (0.39) METTL3CFDP2RX7PDE4APDE4B
SCHEMBL3625163 0.91 CFD (0.44) METTL3CFDP2RX7
SCHEMBL3628891 0.91 CFD (0.42) METTL3CFDP2RX7KLKB1
SCHEMBL3618089 0.91 METTL3 (0.38) METTL3CFDNOTUMCMA1P2RX7
SCHEMBL3624017 0.91 METTL3 (0.43) METTL3CFDP2RX7KLKB1
SCHEMBL3625820 0.90 CFD (0.39) METTL3CFDP2RX7KLKB1
SCHEMBL3621647 0.90 CFD (0.39) METTL3CFDP2RX7KLKB1
SCHEMBL3624155 0.90 METTL3 (0.42) METTL3CFDNOTUMCMA1PDE4A

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 METTL3 3971/4885CFD 4484/4885NOTUM 739/4885

“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.