SCHEMBL2797608

SCHEMBL2797608

COC(=O)c1cc(OC)cc2[nH]c(=O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
ALDH1A1 P00352 7/20 0.51
GAA P10253 4/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MAPT P10636 3/20 0.51
ALOX15 P16050 2/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR4A2 P43354 3/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB1 Q9H4B7 1/20 0.44
CHEK1 O14757 1/20 0.43
MET P08581 1/20 0.43
GSK3B P49841 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL14279689 0.87 KDM4E (0.61) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL27030475 0.82 NR4A2 (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL29707485 0.82 NR4A2 (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL30908476 0.78 NR4A2 (0.64) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1133930 0.77 NR4A2 (0.51) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2798796 0.76 KDM4E (0.58) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL12002193 0.76 KDM4E (0.78) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3864985 0.75 KDM4E (0.57) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2799377 0.74 KDM4E (0.71) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL12002191 0.73 KDM4E (0.58) KDM4EALDH1A1GAAHPGDHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 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 (2 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KDM4E 2360/4885ALDH1A1 2925/4885GAA 4764/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KDM4E 2555/4885ALDH1A1 3142/4885GAA 1357/4885

“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.