SCHEMBL2799489

SCHEMBL2799489

CNC(=O)c1cc(=O)n(CCN2CCC(NC/C(C)=C/c3ccccc3)CC2)c2cc(OC)ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
MAOB P27338 2/20 0.40
MCHR1 Q99705 4/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ACKR3 P25106 1/20 0.39
KCNQ1 P51787 1/20 0.37
CACNA1C Q13936 1/20 0.37
ACHE P22303 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
SCHEMBL2799491 1.00 KCNH2 (0.44) KCNH2MAOBMCHR1CNR1CNR2
SCHEMBL2796096 0.88 KCNH2 (0.44) KCNH2MAOBCNR1CNR2KCNQ1
SCHEMBL2796098 0.88 KCNH2 (0.44) KCNH2MAOBCNR1CNR2KCNQ1
SCHEMBL2797462 0.87 MCHR1 (0.49) KCNH2MAOBMCHR1CNR1CNR2
SCHEMBL2797465 0.87 MCHR1 (0.49) KCNH2MAOBMCHR1CNR1CNR2
SCHEMBL2794273 0.83 GRIN2B (0.46) KCNH2MAOBCNR1CNR2ACHE
SCHEMBL13235668 0.83 KCNH2 (0.46) KCNH2MAOBCNR1CNR2KCNQ1
SCHEMBL5040389 0.83 KCNH2 (0.49) KCNH2MAOBMCHR1CNR1CNR2
Hydrochloric Acid SCHEMBL2796260 0.82 KCNH2 (0.45) KCNH2MAOBCNR1CNR2KCNQ1
SCHEMBL2799086 0.82 KCNH2 (0.53) KCNH2CNR1CNR2KCNQ1CACNA1C

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 578/4885MAOB 1601/4885MCHR1 2848/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885MAOB 2316/4885MCHR1 4487/4885

“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.