SCHEMBL2798566

SCHEMBL2798566

COc1ccc2[nH]c(=O)cc(C)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.75
ALDH1A1 P00352 9/20 0.65
GAA P10253 2/20 0.65
POLB P06746 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAPT P10636 3/20 0.63
HSD17B10 Q99714 3/20 0.63
TSHR P16473 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GFER P55789 1/20 0.63
HPGD P15428 7/20 0.63
LMNA P02545 2/20 0.59
STING1 Q86WV6 1/20 0.57
AR P10275 1/20 0.57
NQO2 P16083 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL394584 0.86 KDM4E (1.00) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL30634405 0.86 KDM4E (1.00) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL1395319 0.83 ALDH1A1 (0.63) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL1771735 0.83 KDM4E (0.57) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL2267796 0.83 ALDH1A1 (0.66) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL19242935 0.81 KDM4E (0.66) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL12987264 0.80 KDM4E (0.78) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL2539400 0.80 KDM4E (0.58) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL12285521 0.79 ABCG2 (0.83) KDM4EALDH1A1GAAPOLBTDP1
SCHEMBL1770881 0.79 AR (0.61) KDM4EALDH1A1GAAPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988093-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-04-07 CN disclosed
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-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
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
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
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-6479660-B1 Process for the preparation of anti-malarial drugs SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-12 US disclosed
EP-0871616-B1 PROCESS FOR THE PREPARATION OF ANTI-MALARIAL DRUGS SMITHKLINE BEECHAM PLC (GB) 2002-03-13 EP disclosed
EP-0871616-A1 PROCESS FOR THE PREPARATION OF ANTI-MALARIAL DRUGS SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP disclosed
WO-1997013753-A1 PROCESS FOR THE PREPARATION OF ANTI-MALARIAL DRUGS SMITHKLINE BEECHAM P.L.C. (GB) 1997-04-17 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 (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.