SCHEMBL2800992

SCHEMBL2800992

CNC(=O)c1cc(=O)n(CCN2CCC(NCc3sc4ccccc4c3Cl)CC2)c2cc(OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.46
KCNQ1 P51787 1/20 0.38
CACNA1C Q13936 1/20 0.38
PRSS12 P56730 2/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 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
SCHEMBL2794874 0.92 KCNH2 (0.48) KCNH2KCNQ1CACNA1CMAOBCNR1
SCHEMBL13235666 0.85 KCNH2 (0.48) KCNH2KCNQ1CACNA1CMAOBCNR1
Hydrochloric Acid SCHEMBL2798692 0.85 KCNH2 (0.48) KCNH2KCNQ1CACNA1CMAOBCNR1
SCHEMBL2800993 0.84 NPY1R (0.39) KCNH2PRSS12MAOBCNR1CNR2
SCHEMBL2799086 0.83 KCNH2 (0.53) KCNH2KCNQ1CACNA1CCNR1CNR2
SCHEMBL2795812 0.83 KCNH2 (0.48) KCNH2KCNQ1CACNA1CALDH1A1
SCHEMBL2799498 0.83 KCNH2 (0.51) KCNH2KCNQ1CACNA1CALDH1A1
SCHEMBL2798888 0.82 KCNH2 (0.48) KCNH2KCNQ1CACNA1CMAOBCNR1
SCHEMBL2795109 0.82 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2796540 0.81 KCNH2 (0.48) 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 578/4885KCNQ1 3772/4885CACNA1C 1462/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885KCNQ1 240/4885CACNA1C 1832/4885

“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.