SCHEMBL1045940

SCHEMBL1045940

CSc1ccc(Cl)c(Cc2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.39
CNR1 P21554 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 5/20 0.39
CHRM1 P11229 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12957490 0.90 KDM4E (0.41) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3235095 0.88 CNR2 (0.36) CNR2ALDH1A1KDM4ECNR1GAA
SCHEMBL1044536 0.87 MAPT (0.45) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1044730 0.86 LMNA (0.41) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1046015 0.85 HTT (0.42) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1045334 0.85 SMN1; SMN2 (0.45) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1044962 0.84 GAA (0.51) CNR2ALDH1A1HTTGAALMNA
SCHEMBL1045247 0.84 HTT (0.46) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1045221 0.81 GAA (0.44) CNR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1044635 0.81 GAA (0.45) CNR2ALDH1A1KDM4EHPGDHSD17B10

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 28 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
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
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 US 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-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
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 CNR2 4723/4885ALDH1A1 712/4885KDM4E 112/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 CNR2 4723/4885ALDH1A1 712/4885KDM4E 112/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT CNR2 4708/4885ALDH1A1 717/4885KDM4E 92/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 CNR2 4823/4885ALDH1A1 703/4885KDM4E 148/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP CNR2 4829/4885ALDH1A1 571/4885KDM4E 187/4885

“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.