SCHEMBL2799342

SCHEMBL2799342

CCCCCCCNC1CCN(CCn2c(=O)cc(C(=O)NC)c3ccc(OC)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
CNR2 P34972 4/20 0.42
CNR1 P21554 2/20 0.42
HTR4 Q13639 2/20 0.40
KCNQ1 P51787 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL2798430 0.90 KCNH2 (0.46) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL2794273 0.88 GRIN2B (0.46) KCNH2CNR2CNR1
SCHEMBL2799086 0.86 KCNH2 (0.53) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL2799493 0.85 KCNH2 (0.51) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL5040389 0.85 KCNH2 (0.49) KCNH2CNR2CNR1
Hydrochloric Acid SCHEMBL2794073 0.85 KCNH2 (0.50) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL2799081 0.84 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
SCHEMBL2799498 0.84 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
SCHEMBL2798563 0.84 KCNH2 (0.52) KCNH2CNR2CNR1KCNQ1CACNA1C
SCHEMBL2798522 0.83 KCNH2 (0.44) KCNH2HTR3EHTR3BHTR3AHTR3D

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 578/4885HTR3E 4770/4885HTR3B 4165/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885HTR3E 4654/4885HTR3B 4505/4885

“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.