SCHEMBL2800161

SCHEMBL2800161

COc1ccc2ccc(=O)n(CCCC3(C(=O)O)CCN(CCSc4cccc(F)c4)CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.36
NQO2 P16083 1/20 0.35
PTGER2 P43116 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LTB4R Q15722 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AVPR1B P47901 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL2798102 0.92 POLB (0.38) POLBKMT2AMEN1KCNH2KDM4E
SCHEMBL2796445 0.91 POLB (0.45) POLBKMT2AMEN1
SCHEMBL12000069 0.90 KMT2A (0.35) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL10285205 0.88 KCNH2 (0.35) SLC6A9KMT2AKCNH2HTR1AADRA1A
SCHEMBL2797961 0.84 KCNH2 (0.41) KCNH2HTR1A
SCHEMBL2797883 0.84 POLB (0.49) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL12000063 0.82 MEN1 (0.44) POLBKMT2AMEN1ALDH1A1
SCHEMBL2800144 0.82 POLB (0.46) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL12000065 0.81 KMT2A (0.42) POLBKMT2AMEN1KDM4EALDH1A1
SCHEMBL2798009 0.81 SIGMAR1 (0.46) POLBKMT2AMEN1KDM4EALDH1A1

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 9 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-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-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
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 SLC6A9 250/4885NQO2 485/4885PTGER2 3954/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 SLC6A9 787/4885NQO2 1/4885PTGER2 3434/4885

“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.