SCHEMBL2799236

SCHEMBL2799236

COc1cc[n+]([O-])c2cc(C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
GAK O14976 5/20 0.40
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RIPK2 O43353 2/20 0.37
NLK Q9UBE8 2/20 0.37
EPHB6 O15197 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
EPHA1 P21709 1/20 0.37
EPHA8 P29322 1/20 0.37
TXK P42681 1/20 0.37
COQ8A Q8NI60 1/20 0.37
KIF11 P52732 2/20 0.36
EGFR P00533 2/20 0.36
STK16 O75716 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL11566523 0.78 KIF11 (0.39) L3MBTL1RAB9AMAPTKIF11MEN1
SCHEMBL31312323 0.78 KIF11 (0.35) L3MBTL1MAPTKIF11ATM
SCHEMBL2797388 0.78 L3MBTL1 (0.38) L3MBTL1MAPTKIF11ATM
SCHEMBL27077478 0.78 ACHE (0.41) RAB9ABCHEACHEGAKMAPT
SCHEMBL30489827 0.78 L3MBTL1 (0.38) L3MBTL1MAPTKIF11ATM
SCHEMBL9796484 0.78 MEN1 (0.36) L3MBTL1MAPTNPSR1KIF11MEN1
SCHEMBL14805779 0.75 MET (0.31) METKDRFLT3AURKB
SCHEMBL27077373 0.74 ACHE (0.40) ACHEGAKRIPK2NLKCOQ8A
SCHEMBL2799728 0.73 IDO1 (0.41) BCHEACHEMAPTMAPK1KDM4E
SCHEMBL11818712 0.72 PTPN5 (0.35) L3MBTL1KIF11MAPK1ATM

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 L3MBTL1 357/4885RAB9A 1836/4885BCHE 4371/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 L3MBTL1 4408/4885RAB9A 125/4885BCHE 3874/4885

“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.