SCHEMBL2794583

SCHEMBL2794583

CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL11999862 0.89 SMYD3 (0.39) POLBKMT2AMEN1LMNASMYD3
SCHEMBL2796205 0.88 KMT2A (0.44) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL2797996 0.87 POLB (0.38) POLBKMT2AMEN1LMNASMYD3
SCHEMBL2797244 0.87 HTR1A (0.42) POLBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL2797642 0.83 PIK3CA (0.42) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL4137316 0.83 KDM4E (0.39) KMT2AMEN1LMNASMYD3ALDH1A1
Hydrochloric Acid SCHEMBL4141561 0.82 KDM4E (0.38) KMT2AMEN1SMYD3ALDH1A1L3MBTL1
SCHEMBL2796440 0.82 POLB (0.59) POLBKMT2AMEN1RAB9AALDH1A1
SCHEMBL2793851 0.82 MEN1 (0.56) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL12002159 0.82 KMT2A (0.39) MTNR1AMTNR1BKMT2AMAPT

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 2770/4885MTNR1A 2570/4885MTNR1B 2598/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 POLB 314/4885MTNR1A 3499/4885MTNR1B 3674/4885

“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.