SCHEMBL2798129

SCHEMBL2798129

COc1ccc2c(-c3nccs3)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)O)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.47
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 2/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.37
SLC2A1 P11166 1/20 0.36
KCNQ1 P51787 1/20 0.36
CACNA1C Q13936 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL12002154 0.92 KCNH2 (0.44) KCNH2HTR1ASLC6A4PDE5ALMNA
SCHEMBL2796458 0.88 KCNH2 (0.47) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2794337 0.88 KCNH2 (0.47) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2796311 0.86 KCNH2 (0.60) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL5040333 0.86 KCNH2 (0.58) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2798542 0.86 KCNH2 (0.49) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL5039995 0.84 KCNH2 (0.48) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL12000152 0.84 KCNH2 (0.36) KCNH2LMNAUBE2MDCUN1D1
SCHEMBL5036618 0.84 KCNH2 (0.47) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL5036915 0.83 KCNH2 (0.61) KCNH2KCNQ1CACNA1C

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 6 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-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
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 578/4885HTR1A 3839/4885SLC6A4 1947/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885HTR1A 4059/4885SLC6A4 2832/4885

“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.