SCHEMBL2795239

SCHEMBL2795239

COc1ccc2c(c1)c(C)cc(=O)n2CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.67
SLC2A1 P11166 3/20 0.54
MCHR1 Q99705 2/20 0.51
CNR2 P34972 1/20 0.48
KCNQ1 P51787 1/20 0.47
CACNA1C Q13936 1/20 0.47
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
Hydrochloric Acid SCHEMBL2797399 0.99 KCNH2 (0.66) KCNH2SLC2A1MCHR1CNR2KCNQ1
SCHEMBL2799122 0.93 KCNH2 (0.76) KCNH2SLC2A1MCHR1KCNQ1CACNA1C
SCHEMBL12000197 0.90 KCNH2 (0.55) KCNH2SLC2A1MCHR1
SCHEMBL12000161 0.87 KCNH2 (0.58) KCNH2SLC2A1MCHR1
SCHEMBL12001953 0.87 KCNH2 (0.65) KCNH2SLC2A1MCHR1KCNQ1CACNA1C
SCHEMBL12002243 0.87 KCNH2 (0.67) KCNH2SLC2A1MCHR1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2796106 0.86 KCNH2 (0.57) KCNH2SLC2A1MCHR1
SCHEMBL12002301 0.86 KCNH2 (0.64) KCNH2SLC2A1KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2799369 0.86 KCNH2 (0.66) KCNH2SLC2A1MCHR1KCNQ1CACNA1C
SCHEMBL12002218 0.86 KCNH2 (0.75) KCNH2SLC2A1KCNQ1CACNA1C

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 KCNH2 578/4885SLC2A1 1492/4885MCHR1 2848/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885SLC2A1 3673/4885MCHR1 4487/4885

“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.