SCHEMBL129377

SCHEMBL129377

CCOC(=O)c1c(Cc2cccc(OC)n2)c(-c2ccc(OC(F)F)c(OC3CC3)c2)n(COCc2ccccc2)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 8/20 0.33
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGES O14684 1/20 0.31

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
SCHEMBL129304 0.89 MAPT (0.36) MAPTNPSR1PDE4BPDE4APDE4C
SCHEMBL127886 0.87 PDE4D (0.36) MAPTNPSR1PDE4BPDE4APDE4C
SCHEMBL129648 0.86 MAPT (0.35) MAPTNPSR1PDE4BPDE4APDE4C
SCHEMBL127526 0.85 ACSL1 (0.35) MAPTNPSR1PDE4BPDE4APDE4C
SCHEMBL127633 0.84 PDE4D (0.35) MAPTNPSR1PDE4BPDE4APDE4C
SCHEMBL129263 0.84 MAPT (0.34) MAPTNPSR1PDE4BPDE4APDE4C
SCHEMBL127200 0.79 GRIN1 (0.35) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL131110 0.78 ALDH1A1 (0.37) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL128773 0.71 SMN1; SMN2 (0.37) MAPTNPSR1KDM4EALDH1A1HPGD
SCHEMBL128954 0.68 GRIN1 (0.35) PDE4BPDE4APDE4CPDE4DGRIN1

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-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MAPT 4877/4885NPSR1 859/4885PDE4B 3261/4885

“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.