SCHEMBL2797996

SCHEMBL2797996

CCOC(=O)C1(CCCn2c(=O)cc(C)c3ccc(OC)cc32)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
DYRK1A Q13627 5/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR2 P34972 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11999834 0.90 KDM4E (0.40) POLBKDM4EKMT2AMEN1LMNA
SCHEMBL2794583 0.87 POLB (0.41) POLBKDM4EKMT2AMEN1LMNA
SCHEMBL2797244 0.85 HTR1A (0.42) POLBKDM4EKCNH2ALDH1A1
SCHEMBL2796986 0.84 PIK3CA (0.41) POLBKDM4EKMT2AMEN1DYRK1A
SCHEMBL12002171 0.84 KCNH2 (0.40) POLBKDM4EDYRK1ALMNAKCNH2
SCHEMBL12002113 0.82 KCNH2 (0.39) POLBKDM4EDYRK1ALMNAKCNH2
SCHEMBL2799830 0.79 MEN1 (0.41) POLBKMT2AMEN1LMNAKCNH2
SCHEMBL2794300 0.76 KCNH2 (0.39) POLBKDM4EDYRK1ALMNAKCNH2
SCHEMBL13234473 0.76 KCNH2 (0.39) POLBKDM4EDYRK1ALMNAKCNH2
SCHEMBL11999862 0.76 SMYD3 (0.39) POLBKMT2AMEN1LMNASMYD3

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 POLB 2770/4885KDM4E 2360/4885KMT2A 1173/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 POLB 314/4885KDM4E 2555/4885KMT2A 2354/4885

“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.