SCHEMBL3929993

SCHEMBL3929993

COc1cc(F)c2nccc([C@@H](O)CBr)c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
NSD2 O96028 2/20 0.34
CASP6 P55212 2/20 0.34
CYP3A4 P08684 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SLC2A1 P11166 1/20 0.33
ACVR1 Q04771 1/20 0.33
KCNH2 Q12809 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
RAD52 P43351 1/20 0.32
CASP7 P55210 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL5506908 0.79 SLC10A1 (0.38) CYP3A4PDE10AACVR1CRHR1
SCHEMBL4275515 0.78 SLC2A1 (0.44) SLC2A1KCNH2
SCHEMBL4275516 0.78 SLC2A1 (0.44) SLC2A1KCNH2
SCHEMBL4275507 0.78 SLC2A1 (0.44) SLC2A1KCNH2
SCHEMBL7140533 0.77 KDM4E (0.35) ROCK2NSD2CASP6PDE10AHSP90AA1
SCHEMBL3403559 0.76 NSD2 (0.35) ROCK2NSD2CASP6MTNR1AMTNR1B
SCHEMBL3375901 0.75 CCR1 (0.38) NSD2CASP6CYP3A4PDE10AHSP90AA1
SCHEMBL2923376 0.75 NOS3 (0.40) NSD2CASP6CYP3A4PDE10AHSP90AA1
SCHEMBL3247218 0.74 LMNA (0.42) MTNR1AMTNR1B
SCHEMBL3250184 0.73 SLC2A1 (0.42) SLC2A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US disclosed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP disclosed
EP-1567520-A4 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-08-02 EP disclosed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US disclosed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 ROCK2 3534/4885NSD2 390/4885CASP6 994/4885

“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.