SCHEMBL127526

SCHEMBL127526

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 1/20 0.32
POLB P06746 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
HCRTR2 O43614 1/20 0.32
MCHR1 Q99705 1/20 0.32
NR3C1 P04150 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
SCHEMBL129263 0.90 MAPT (0.34) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL127633 0.87 PDE4D (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL129648 0.87 MAPT (0.35) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL129304 0.85 MAPT (0.36) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL129140 0.78 SMN1; SMN2 (0.39) MAPTPTGESMEN1ALDH1A1LMNA
SCHEMBL126614 0.77 GRIN1 (0.36) ACSL1PDE4APDE4BPDE4CPDE4D
SCHEMBL129168 0.70 SMN1; SMN2 (0.39) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL129029 0.69 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSLC16A3
SCHEMBL130087 0.67 CYP2C9 (0.35) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL127762 0.66 SMN1; SMN2 (0.37) MAPTNPSR1MEN1ALDH1A1LMNA

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 ACSL1 341/4885MAPT 4877/4885NPSR1 859/4885

“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.