SCHEMBL4072329

SCHEMBL4072329

Cc1ccc2cc(CN(CCO)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1C

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.73
KDM4E B2RXH2 11/20 0.73
HSD17B10 Q99714 10/20 0.73
MAPK1 P28482 5/20 0.73
GAA P10253 2/20 0.65
LMNA P02545 4/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 1/20 0.58
USP2 O75604 2/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 5/20 0.55
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4075216 0.96 HSD17B10 (0.71) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4071643 0.85 KDM4E (0.73) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4069196 0.80 HSD17B10 (0.56) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4076583 0.78 HSD17B10 (0.54) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4069417 0.77 KDM4E (0.58) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4078012 0.75 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4070804 0.75 KDM4E (0.92) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL4070776 0.74 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL5449313 0.73 KDM4E (0.58) ALDH1A1KDM4EHSD17B10MAPK1GAA
SCHEMBL4081440 0.73 KDM4E (0.57) ALDH1A1KDM4EHSD17B10MAPK1GAA

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 8 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
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US 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 ALDH1A1 1055/4885KDM4E 2403/4885HSD17B10 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.