SCHEMBL2796445

SCHEMBL2796445

CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCN(CCSc2cccc(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL12000063 0.92 MEN1 (0.44) POLBMEN1KMT2AHTTL3MBTL1
SCHEMBL2797883 0.92 POLB (0.49) POLBMEN1KMT2AL3MBTL1RAB9A
SCHEMBL2800161 0.91 SLC6A9 (0.36) POLBMEN1KMT2A
SCHEMBL10285205 0.85 KCNH2 (0.35) KMT2A
SCHEMBL2797601 0.85 MEN1 (0.42) POLBMEN1KMT2AHTTL3MBTL1
SCHEMBL12000062 0.83 ALDH1A1 (0.43) POLBMEN1KMT2AL3MBTL1LMNA
SCHEMBL2798102 0.83 POLB (0.38) POLBMEN1KMT2ALMNA
SCHEMBL2796440 0.83 POLB (0.59) POLBMEN1KMT2AL3MBTL1RAB9A
SCHEMBL12000069 0.83 KMT2A (0.35) POLBMEN1KMT2AHTTRAB9A
SCHEMBL2793851 0.81 MEN1 (0.56) POLBMEN1KMT2AL3MBTL1LMNA

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

“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.