SCHEMBL2799592

SCHEMBL2799592

COc1ccc2ncc(=O)n(CCN3CCC(N(C)c4cc(-c5cccs5)on4)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
KCNQ1 P51787 1/20 0.44
CACNA1C Q13936 1/20 0.44

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 SCHEMBL2798219 0.99 KCNH2 (0.47) KCNH2HTR1ADRD2HTR2AKCNQ1
SCHEMBL2796731 0.90 KCNH2 (0.40) KCNH2HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL2797949 0.89 KCNH2 (0.40) KCNH2HTR1ADRD2HTR2A
SCHEMBL2799593 0.83 KCNH2 (0.65) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2796889 0.83 LMNA (0.40) KCNH2HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL2798221 0.83 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL2798725 0.78 KCNH2 (0.70) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2794629 0.77 KCNH2 (0.69) KCNH2KCNQ1CACNA1C
SCHEMBL2798291 0.77 HTR1A (0.52) KCNH2HTR1ADRD2HTR2AKCNQ1
SCHEMBL2800075 0.77 KCNH2 (0.51) 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 3839/4885DRD2 873/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885HTR1A 4059/4885DRD2 2745/4885

“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.