SCHEMBL5046802

SCHEMBL5046802

Cc1cc(=O)n(CCN2CCC(NCc3ccc4c(c3)OCCO4)CC2)c2cc(F)ccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.60
MCHR1 Q99705 1/20 0.45
SLC2A1 P11166 3/20 0.45
MAOB P27338 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41

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 SCHEMBL2794527 0.99 KCNH2 (0.59) KCNH2MCHR1SLC2A1MAOBCARM1
SCHEMBL12000026 0.91 KCNH2 (0.61) KCNH2MCHR1SLC2A1MAOB
SCHEMBL12000224 0.90 SLC2A1 (0.50) KCNH2MCHR1SLC2A1CARM1PRMT6
SCHEMBL10285875 0.90 KCNH2 (0.60) KCNH2MCHR1SLC2A1MAOBCARM1
SCHEMBL12000106 0.90 KCNH2 (0.60) KCNH2MCHR1SLC2A1MAOB
Hydrochloric Acid SCHEMBL2796401 0.89 SLC2A1 (0.51) KCNH2MCHR1SLC2A1CARM1PRMT6
SCHEMBL12000119 0.89 KCNH2 (0.59) KCNH2SLC2A1MAOB
Hydrochloric Acid SCHEMBL2796727 0.89 KCNH2 (0.59) KCNH2MCHR1SLC2A1MAOBCARM1
Hydrochloric Acid SCHEMBL2799844 0.89 KCNH2 (0.59) KCNH2MCHR1SLC2A1MAOB
SCHEMBL12000161 0.89 KCNH2 (0.58) KCNH2MCHR1SLC2A1MAOB

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 10 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
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 KCNH2 578/4885MCHR1 2848/4885SLC2A1 1492/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885MCHR1 4487/4885SLC2A1 3673/4885

“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.