SCHEMBL2796972

SCHEMBL2796972

CNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3ccc4c(c3)OCCN4C)CC2)c2cc(OC)ccc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
CNR2 P34972 4/20 0.39
CNR1 P21554 2/20 0.39
OPRM1 P35372 1/20 0.34
KCNQ1 P51787 1/20 0.34
CACNA1C Q13936 1/20 0.34
UBE2I P63279 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33

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
SCHEMBL2797552 0.88 KCNH2 (0.44) KCNH2CNR2CNR1
SCHEMBL2799897 0.88 KCNH2 (0.44) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL2799336 0.86 CNR1 (0.38) KCNH2CNR2CNR1OPRM1
SCHEMBL2796973 0.84 KCNH2 (0.53) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL2796798 0.84 KCNH2 (0.41) KCNH2CNR2CNR1
SCHEMBL2800447 0.83 KCNH2 (0.40) KCNH2CNR2CNR1
SCHEMBL2796653 0.83 KCNH2 (0.39) KCNH2CNR2CNR1OPRM1KCNQ1
SCHEMBL2800125 0.82 KCNH2 (0.38) KCNH2CNR2CNR1
SCHEMBL2796649 0.82 KCNH2 (0.39) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL2798350 0.81 KDM4E (0.41) KCNH2CNR2CNR1

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 578/4885CNR2 807/4885CNR1 673/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885CNR2 2994/4885CNR1 2005/4885

“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.