SCHEMBL128233

SCHEMBL128233

CC(C)(C(=O)O)c1[c]cccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
LMNA P02545 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
PLCG1 P19174 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL128489 0.78 SMN1; SMN2 (0.31) L3MBTL1
SCHEMBL2254085 0.77
SCHEMBL28331230 0.73
SCHEMBL128559 0.69
SCHEMBL35207 0.67
SCHEMBL505194 0.67 L3MBTL1 (0.52) KDM4EALDH1A1CYP1A2SLC22A12LMNA
SCHEMBL129102 0.67 NR1H2 (0.32)
SCHEMBL17103639 0.65
SCHEMBL497105 0.65
SCHEMBL601139 0.65

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 KDM4E 1902/4885ALDH1A1 580/4885CYP1A2 84/4885

“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.