SCHEMBL2800067

SCHEMBL2800067

COc1ccc2c(-c3ccccn3)cc(=O)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSD17B10 Q99714 2/20 0.60
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
RUNX1 Q01196 1/20 0.54
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
DYRK1A Q13627 4/20 0.45
ACHE P22303 2/20 0.45
CDK2 P24941 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45
CCNT1 O60563 1/20 0.45
CCNB2 O95067 1/20 0.45

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
SCHEMBL30283788 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2798115 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2798316 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30283738 0.77 KDM4E (0.70) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL394584 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL30634405 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL26260030 0.73 RAB9A (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL1536486 0.73 RAB9A (0.65) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL13856172 0.72 RAB9A (0.67) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9989315 0.72 PDE3B (0.48) HPGDSMN1; SMN2CHEK1PDE3BPDE3A

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 12 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-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

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 2925/4885HPGD 3615/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KDM4E 2555/4885ALDH1A1 3142/4885HPGD 621/4885

“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.