SCHEMBL2797642

SCHEMBL2797642

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
PRKDC P78527 2/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
MTOR P42345 1/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 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
SCHEMBL2796205 0.93 KMT2A (0.44) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL11999866 0.91 ALDH1A1 (0.39) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL2796986 0.89 PIK3CA (0.41) PIK3CAPRKDCMEN1KMT2APOLB
SCHEMBL2798330 0.88 PIK3CA (0.43) PIK3CAPRKDCPOLBALDH1A1KDM4E
SCHEMBL4145531 0.85 ALDH1A1 (0.41) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL10285227 0.84 PIK3CA (0.42) PIK3CAPRKDCMEN1KMT2AALDH1A1
SCHEMBL2794583 0.83 POLB (0.41) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2796440 0.80 POLB (0.59) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2793851 0.80 MEN1 (0.56) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4136327 0.80 ALDH1A1 (0.41) MEN1KMT2APOLBALDH1A1L3MBTL1

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 12 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-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
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 PIK3CA 4605/4885PRKDC 3243/4885MEN1 1971/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 PIK3CA 1045/4885PRKDC 4057/4885MEN1 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.