SCHEMBL2796440

SCHEMBL2796440

CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCN(CCOc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
P4HB P07237 2/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL12000137 0.92 KMT2A (0.50) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL2800144 0.91 POLB (0.46) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2797883 0.89 POLB (0.49) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL2793851 0.89 MEN1 (0.56) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2795909 0.85 KDM4E (0.61) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2795915 0.85 KDM4E (0.61) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2796205 0.85 KMT2A (0.44) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL12000138 0.83 KCNA5 (0.44) POLBKMT2AMEN1RAB9AL3MBTL1
SCHEMBL13264611 0.83 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2796445 0.83 POLB (0.45) POLBKMT2AMEN1RAB9AL3MBTL1

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 10 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
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 POLB 2770/4885KMT2A 1173/4885MEN1 1971/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 POLB 314/4885KMT2A 2354/4885MEN1 2461/4885

“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.