SCHEMBL4240705

SCHEMBL4240705

Cc1ccccc1-n1nc(CC(=O)c2ccc(F)cc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.47
MAPK11 Q15759 5/20 0.42
MAPK13 O15264 3/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.40
MAPK14 Q16539 5/20 0.40
MAPK12 P53778 2/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GAA P10253 1/20 0.37
PDE4A P27815 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
SCHEMBL5798754 0.87 PIM1 (0.40) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4239808 0.84 MAPK11 (0.46) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4243698 0.74 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6133315 0.74 RAB9A (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL4243639 0.73 MAPK13 (0.40) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL29594171 0.73 MAPK13 (0.40) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6133984 0.68 PKM (0.43) LMNAALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4247801 0.67 MAPK11 (0.42) LMNAALDH1A1SMN1; SMN2TDP1MAPK11
SCHEMBL18781471 0.66 MAPK14 (0.52) ALDH1A1MAPK11MAPK13MAPTMAPK14
SCHEMBL5795810 0.65 MAPK11 (0.37) LMNAALDH1A1MAPK11MAPK13CYP2C9

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
US-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC (JP) 2009-02-12 US disclosed
EP-1919919-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed
WO-2007026950-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 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-20090042856-A1 PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN HRH2, OPRD1, HRH4 LMNA 3536/4885ALDH1A1 1303/4885SMN1; SMN2 1031/4885

“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.