SCHEMBL2800124

SCHEMBL2800124

CNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc4cc[nH]c4c3)CC2)c2cc(OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.47
JAK1 P23458 7/20 0.42
JAK2 O60674 5/20 0.42
JAK3 P52333 5/20 0.42
KCNQ1 P51787 1/20 0.42
CACNA1C Q13936 1/20 0.42
TYK2 P29597 4/20 0.40
MCHR2 Q969V1 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL2795109 0.89 KCNH2 (0.49) KCNH2KCNQ1CACNA1CMCHR1
SCHEMBL2799086 0.89 KCNH2 (0.53) KCNH2JAK1JAK2JAK3KCNQ1
Hydrochloric Acid SCHEMBL2796540 0.89 KCNH2 (0.48) KCNH2KCNQ1CACNA1CMCHR1
SCHEMBL2797811 0.87 KCNH2 (0.53) KCNH2JAK1JAK2JAK3KCNQ1
SCHEMBL2798563 0.87 KCNH2 (0.52) KCNH2KCNQ1CACNA1CMCHR1
SCHEMBL2799498 0.87 KCNH2 (0.51) KCNH2JAK1JAK2JAK3KCNQ1
SCHEMBL2799493 0.87 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
SCHEMBL2796722 0.86 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2794073 0.86 KCNH2 (0.50) KCNH2KCNQ1CACNA1C
SCHEMBL2798961 0.86 KCNH2 (0.52) 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 578/4885JAK1 54/4885JAK2 20/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885JAK1 943/4885JAK2 1164/4885

“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.