SCHEMBL3620387

SCHEMBL3620387

CC(C)(C)[C@@H](CO)c1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.40
METTL3 Q86U44 1/20 0.35
SLC22A12 Q96S37 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C9 P11712 1/20 0.32
PPARG P37231 1/20 0.32
PIK3C2B O00750 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
SCHEMBL3624708 0.91 METTL3 (0.44) CMA1METTL3PPARG
SCHEMBL3626924 0.88 CMA1 (0.42) CMA1METTL3SLC22A12SMN1; SMN2NPSR1
SCHEMBL13316620 0.81 METTL3 (0.39) CMA1METTL3
SCHEMBL3624158 0.79 METTL3 (0.47) CMA1METTL3PPARG
SCHEMBL3627914 0.79 METTL3 (0.46) CMA1METTL3SLC22A12PPARG
SCHEMBL3625696 0.77 METTL3 (0.44) CMA1METTL3PPARG
SCHEMBL13349637 0.77 METTL3 (0.36) METTL3
SCHEMBL3623776 0.76 METTL3 (0.57) CMA1METTL3
SCHEMBL3623899 0.75 METTL3 (0.49) CMA1METTL3
SCHEMBL3627433 0.74 METTL3 (0.40) CMA1METTL3SLC22A12

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 CMA1 738/4885METTL3 3971/4885SLC22A12 1782/4885

“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.