SCHEMBL1044729

SCHEMBL1044729

NS(=O)(=O)Cn1cc(C(=O)O)c(=O)c2cc(Cc3c(F)cccc3Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
TOP1 P11387 5/20 0.41
LMNA P02545 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
PDE4A P27815 1/20 0.40
PDE7A Q13946 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL1045365 0.89 TOP1 (0.42) CHRM1HTTGAATOP1LMNA
SCHEMBL3245184 0.88 SLC22A12 (0.39) HTTGAALMNASLC22A12PDE4A
SCHEMBL1044538 0.88 HTT (0.46) CHRM1HTTGAATOP1LMNA
SCHEMBL1044458 0.86 CHRM1 (0.45) CHRM1TOP1LMNASLC22A12THRB
SCHEMBL1045975 0.85 HTT (0.47) CHRM1HTTGAALMNASLC22A12
SCHEMBL27637457 0.83 METTL3 (0.43) CHRM1HTTGAATOP1SLC22A12
SCHEMBL3237310 0.77 SLC22A12 (0.39) HTTLMNASLC22A12PDE4APDE7A
SCHEMBL16823344 0.76 SLC22A12 (0.37) HTTSLC22A12PDE4APDE7A
SCHEMBL28757685 0.76 SLC22A12 (0.40) HTTSLC22A12
SCHEMBL1043702 0.76 HTT (0.47) CHRM1HTTGAALMNASLC22A12

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 33 patents — showing the first 20. 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
CN-100375742-C 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2008-03-19 CN claimed
CN-1692101-A 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2005-11-02 CN 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
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
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
CN-100375742-C 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2008-03-19 CN disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 US 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
CN-1692101-A 4-oxoquinoline compounds and utilization thereof as HIV integrase inhibitors JAPAN TOBACCO INC (JP) 2005-11-02 CN 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 (5 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 CHRM1 4377/4885HTT 4067/4885GAA 329/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 CHRM1 4377/4885HTT 4067/4885GAA 329/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT CHRM1 4342/4885HTT 3768/4885GAA 331/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 CHRM1 4586/4885HTT 4155/4885GAA 461/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP CHRM1 4482/4885HTT 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.