SCHEMBL943763

SCHEMBL943763

O=C(Oc1ccc(OC2CCNCC2)nc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.45
SCN9A Q15858 2/20 0.39
PAICS P22234 1/20 0.38
TIPARP Q7Z3E1 2/20 0.38
ROCK1 Q13464 1/20 0.38
DGAT1 O75907 1/20 0.38
IKBKB O14920 1/20 0.37
HRH1 P35367 1/20 0.37
EPHX1 P07099 1/20 0.37
LIPE Q05469 2/20 0.37
CSF1R P07333 1/20 0.37
FLT3 P36888 1/20 0.37
EPHX2 P34913 1/20 0.36
AR P10275 1/20 0.36
PIM1 P11309 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
Trifluoroacetic Acid SCHEMBL943761 0.81 TDO2 (0.46) TDO2PAICSTIPARPDGAT1HRH1
Trifluoroacetic Acid SCHEMBL1928035 0.78 DGAT1 (0.47) TDO2PAICSTIPARPDGAT1HRH1
Trifluoroacetic Acid SCHEMBL28530864 0.77 TDO2 (0.44) TDO2PAICSTIPARPHRH1
SCHEMBL19023755 0.76 HRH1 (0.49) TDO2ROCK1IKBKBHRH1
SCHEMBL941428 0.76 TDO2 (0.46) TDO2ROCK1IKBKBHRH1CSF1R
SCHEMBL12911524 0.75 TDO2 (0.51) TDO2PAICSROCK1IKBKBHRH1
Hydrochloric Acid SCHEMBL20138397 0.74 TDP1 (0.48) TDO2ROCK1IKBKBHRH1CSF1R
SCHEMBL942217 0.74 LIPE (0.50) TDO2SCN9ATIPARPLIPEEPHX2
SCHEMBL14127773 0.73 MAPT (0.49) TDO2PAICSDGAT1HRH1
Hydrochloric Acid SCHEMBL28660579 0.73 LIPE (0.49) TDO2SCN9ATIPARPLIPEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US 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 (4 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 TDO2 413/4885SCN9A 1798/4885PAICS 3832/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 TDO2 413/4885SCN9A 1798/4885PAICS 3832/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 TDO2 413/4885SCN9A 1798/4885PAICS 3832/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TDO2 798/4885SCN9A 869/4885PAICS 4799/4885

“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.