SCHEMBL4070804

SCHEMBL4070804

COc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.92
ALDH1A1 P00352 14/20 0.92
HSD17B10 Q99714 6/20 0.92
GAA P10253 4/20 0.92
POLB P06746 2/20 0.64
PLEC Q15149 1/20 0.63
KMT2A Q03164 1/20 0.58
MAPT P10636 2/20 0.57
HPGD P15428 7/20 0.56
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL5453521 0.89 POLB (0.78) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4075216 0.79 HSD17B10 (0.71) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4071643 0.79 KDM4E (0.73) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4073861 0.79 POLB (0.79) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4080510 0.78 ALDH1A1 (0.81) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4075930 0.75 POLB (0.85) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4072329 0.75 ALDH1A1 (0.73) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4073652 0.74 KDM4E (0.83) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4075932 0.72 POLB (0.79) KDM4EALDH1A1HSD17B10GAAPOLB
SCHEMBL4074094 0.71 KDM4E (0.61) KDM4EALDH1A1HSD17B10GAAPOLB

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 4 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
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG KDM4E 2403/4885ALDH1A1 1055/4885HSD17B10 1580/4885

“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.