SCHEMBL2800952

SCHEMBL2800952

COc1ccc2c(c1)c(C)cc(=O)n2CC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.52
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 6/20 0.44
GRIK2 Q13002 2/20 0.43
GRIK1 P39086 1/20 0.43
TSHR P16473 4/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 4/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39

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
SCHEMBL2796905 0.89 ALDH1A1 (0.46) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL11999969 0.82 KDM4E (0.59) HPGDALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL12002245 0.80 ALDH1A1 (0.55) PTGER4ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL12301941 0.78 KMT2A (0.68) TSHRKMT2AMAPK1MEN1PLA2G1B
SCHEMBL2794074 0.78 ALDH1A1 (0.69) HPGDALDH1A1KDM4ETSHRKMT2A
SCHEMBL5437224 0.77 KMT2A (0.60) ALDH1A1KDM4ETSHRKMT2AMAPK1
SCHEMBL2797929 0.77 KMT2A (0.48) PTGER4HPGDALDH1A1GRIK2GRIK1
SCHEMBL2853393 0.76 TSHR (0.50) PTGER4HPGDALDH1A1KDM4EGRIK2
SCHEMBL1001961 0.76 NQO2 (0.59) HPGDALDH1A1KDM4EKMT2AMAPK1
SCHEMBL15850875 0.76 ALDH1A1 (0.47) PTGER4HPGDALDH1A1KDM4ETSHR

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 13 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
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 PTGER4 4086/4885HPGD 3615/4885ALDH1A1 2925/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 PTGER4 3746/4885HPGD 621/4885ALDH1A1 3142/4885

“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.