SCHEMBL5747019

SCHEMBL5747019

C=Cc1c(F)cnc2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ALDH1A1 P00352 1/20 0.35
USP10 Q14694 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
USP13 Q92995 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 3/20 0.34
THRB P10828 2/20 0.34
NFE2L2 Q16236 2/20 0.33
MAPT P10636 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33

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
SCHEMBL5746925 0.83 NR4A2 (0.40) PARP1LMNA
SCHEMBL5747612 0.83 LMNA (0.39) PARP1CCNCCDK8ALDH1A1USP10
SCHEMBL2954867 0.80 KDM4E (0.42) ALDH1A1LMNATP53MAPT
SCHEMBL5310728 0.73 KDM4E (0.37) ALDH1A1HTTLMNATP53MAPT
SCHEMBL319771 0.66 NFE2L2 (0.54) ALDH1A1LMNANFE2L2MAPTGRIN2D
SCHEMBL29413981 0.66 NFE2L2 (0.54) ALDH1A1LMNANFE2L2MAPTGRIN2D
SCHEMBL27632916 0.66 KDM4E (0.41) ALDH1A1LMNATP53MAPT
SCHEMBL10385174 0.66 BCHE (0.45) PARP1CCNCCDK8ALDH1A1USP10
SCHEMBL5747879 0.66 NR4A2 (0.42) PARP1HTTLMNATHRBHTR2A
SCHEMBL29267436 0.64 PARP1 (0.42) PARP1CCNCCDK8ALDH1A1USP10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO 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 (1 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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG PARP1 1176/4885CCNC 2654/4885CDK8 3710/4885

“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.