SCHEMBL130833

SCHEMBL130833

[CH2]Cc1cc(C(=O)O)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.66
TP53 P04637 4/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
GSK3B P49841 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.32
TPMT P51580 2/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL4171556 0.81 DAO (0.68) DAOTP53RAB9AUSP2LCK
SCHEMBL13614249 0.79 DAO (0.66) DAOTP53RAB9AUSP2LCK
SCHEMBL13894452 0.79 DAO (0.66) DAOTP53RAB9AUSP2LCK
SCHEMBL3635029 0.79 DAO (0.66) DAOTP53RAB9AUSP2LCK
SCHEMBL352306 0.79 DAO (1.00) DAOTP53RAB9AUSP2GAA
Methane SCHEMBL28127314 0.78 DAO (0.96) DAOTP53RAB9AUSP2GAA
SCHEMBL30295668 0.76 DAO (0.67) DAOTP53RAB9AUSP2GAA
SCHEMBL2140946 0.76 DAO (0.72) DAOTP53RAB9AUSP2GAA
SCHEMBL4164337 0.75 DAO (0.59) DAOTP53RAB9AUSP2LCK
SCHEMBL20620631 0.75 DAO (0.59) DAOTP53RAB9AUSP2LCK

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 DAO 388/4885TP53 3912/4885RAB9A 2999/4885

“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.