SCHEMBL1042966

SCHEMBL1042966

CCC(CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(SC)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.60
▸ HTT P42858 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ PIK3CG P48736 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CFD P00746 1/20 0.32
▸ LMNA P02545 4/20 0.31
▸ HPGD P15428 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3R1 P27986 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 2/20 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
SCHEMBL1042965 1.00 METTL3 (0.60) METTL3HTTGAANOTUMPIK3CG
SCHEMBL3235842 0.90 METTL3 (0.52) METTL3MAPTTP53RXFP1
SCHEMBL1045839 0.87 METTL3 (0.79) METTL3GAAKDM4EMAPTTP53
SCHEMBL1045841 0.87 METTL3 (0.79) METTL3GAAKDM4EMAPTTP53
SCHEMBL1042819 0.86 METTL3 (0.68) METTL3HTTGAANOTUMPIK3CG
SCHEMBL1042817 0.86 METTL3 (0.68) METTL3HTTGAANOTUMPIK3CG
SCHEMBL29874917 0.86 METTL3 (0.68) METTL3HTTGAANOTUMPIK3CG
SCHEMBL1044533 0.85 METTL3 (0.69) METTL3HTTGAANOTUMKDM4E
SCHEMBL1044535 0.85 METTL3 (0.69) METTL3HTTGAANOTUMKDM4E
SCHEMBL1045788 0.84 METTL3 (0.57) METTL3HTTGAANOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 — — EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 — — EP claimed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 — — EP claimed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 — — US disclosed
EP-4059923-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2022-09-21 — — EP disclosed
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2020-04-02 — — US disclosed
EP-3406596-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2018-11-28 — — EP disclosed
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 — — US disclosed
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. 2013-07-04 — — US disclosed
US-8232401-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2012-07-31 — — US disclosed
EP-2272516-A2 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor Japan Tobacco, Inc. (JP) 2011-01-12 — — EP disclosed
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 — — EP disclosed
EP-2161258-A2 4-oxoquinoline compound and use thereof as hiv integrase inhibitor Japan Tabacco Inc. (JP) 2010-03-10 — — EP disclosed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 — — EP disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 — — US disclosed
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-09-28 — — US disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 — — US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 — — EP 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 (6 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-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 METTL3 1398/4885HTT 4067/4885GAA 329/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 METTL3 1398/4885HTT 4067/4885GAA 329/4885
US-20130172344-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, CDKL4, IMPDH2 METTL3 1861/4885HTT 4155/4885GAA 461/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT METTL3 1258/4885HTT 3768/4885GAA 331/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 METTL3 1861/4885HTT 4155/4885GAA 461/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP METTL3 1746/4885HTT 4202/4885GAA 340/4885

“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.

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