SCHEMBL1378769

SCHEMBL1378769

Cc1cc(=O)[nH]c2cc(F)ccc12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 7/20 0.75
KDM4E B2RXH2 4/20 0.62
GLA P06280 2/20 0.62
GAA P10253 2/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
TNKS O95271 1/20 0.58
PARP1 P09874 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
AR P10275 1/20 0.51
FEN1 P39748 1/20 0.49
LMNA P02545 1/20 0.49
DAO P14920 1/20 0.48
KIF11 P52732 1/20 0.47

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
SCHEMBL11468572 0.85 LMNA (0.62) TNKS2KDM4EGLAGAATP53
SCHEMBL31331891 0.82 TNKS2 (0.66) TNKS2KDM4EGLAGAATP53
SCHEMBL2795205 0.80 KDM4E (0.67) TNKS2KDM4EGLAGAATP53
SCHEMBL2798042 0.79 TNKS2 (0.50) TNKS2KDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL8871948 0.77 LMNA (0.54) TNKS2KDM4EALDH1A1HPGDPARP1
SCHEMBL13264599 0.77 KDM4E (0.62) TNKS2KDM4EGLAGAATP53
SCHEMBL2798886 0.77 KDM4E (0.62) TNKS2KDM4EGLAGAATP53
SCHEMBL141348 0.77 TNKS2 (0.66) TNKS2KDM4EGLAGAATP53
SCHEMBL8064223 0.77 KDM4E (0.62) TNKS2KDM4EGLAGAATP53
SCHEMBL592109 0.77 KDM4E (1.00) TNKS2KDM4EGLAGAATP53

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 17 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
WO-2011156632-A2 COMPOSITIONS AND METHODS OF TREATMENT FOR TUMORS IN THE NERVOUS SYSTEM GEORGETOWN UNIVERSITY (US) 2011-12-15 WO disclosed
US-20110288084-A1 [4-( 1-AMINO-ETHYL) - CYCLOHEXYL ] - METHYL - AMINES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2011-11-24 US disclosed
EP-2370444-A1 [4- (1-AMINO-ETHYL) -CYCLOHEXYL]-METHYL-AMINES AS ANTIBACTERIALS AstraZeneca AB (SE) 2011-10-05 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
WO-2010055348-A1 [4- (1-AMINO-ETHYL) -CYCLOHEXYL] -METHYL-AMINES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2010-05-20 WO 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 (3 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 TNKS2 4090/4885KDM4E 2360/4885GLA 3562/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 TNKS2 1696/4885KDM4E 2555/4885GLA 557/4885
US-20110288084-A1 [4-( 1-AMINO-ETHYL) - CYCLOHEXYL ] - METHYL - AMINES AS ANTIBACTERIALS AAAS, EEF1A1, ACMSD TNKS2 3851/4885KDM4E 164/4885GLA 2074/4885

“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.