SCHEMBL128137

SCHEMBL128137

[CH2]c1ccc(C(O)(C(F)(F)F)C(F)(F)F)s1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 13/20 0.38
NR1H2 P55055 5/20 0.33
NR1H3 Q13133 5/20 0.33
DAO P14920 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
SCHEMBL14593400 0.85 MLYCD (0.42) MLYCDNR1H2NR1H3DAO
SCHEMBL14593301 0.79 MLYCD (0.42) MLYCDNR1H2NR1H3
SCHEMBL129043 0.78 DAO (0.45) DAO
SCHEMBL128138 0.76 MLYCD (0.41) MLYCDNR1H2NR1H3DAO
SCHEMBL128088 0.75 MLYCD (0.34) MLYCDNR1H2NR1H3
SCHEMBL128147 0.74 LMNA (0.33)
SCHEMBL129409 0.65 MLYCD (0.31) MLYCD
SCHEMBL129439 0.64 MLYCD (0.35) MLYCDNR1H2NR1H3
SCHEMBL9418912 0.64 RORA (0.41) MLYCDNR1H2NR1H3
SCHEMBL128956 0.62 MLYCD (0.37) MLYCDNR1H2NR1H3

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 5 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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 MLYCD 481/4885NR1H2 857/4885NR1H3 1338/4885

“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.