SCHEMBL4074554

SCHEMBL4074554

COc1cc2cc(CN(CCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2cc1OC

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.79
ALDH1A1 P00352 13/20 0.79
HPGD P15428 6/20 0.79
HSD17B10 Q99714 7/20 0.72
GAA P10253 3/20 0.72
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.54
PLEC Q15149 1/20 0.52
MAPK1 P28482 2/20 0.51
POLB P06746 2/20 0.50
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4072392 0.89 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4073652 0.89 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4080510 0.75 ALDH1A1 (0.81) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5453521 0.72 POLB (0.78) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4075930 0.71 POLB (0.85) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4078117 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4069375 0.69 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4075932 0.68 POLB (0.79) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4070804 0.66 KDM4E (0.92) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4073861 0.66 POLB (0.79) KDM4EALDH1A1HPGDHSD17B10GAA

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
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO claimed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG KDM4E 2403/4885ALDH1A1 1055/4885HPGD 354/4885

“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.