SCHEMBL131452

SCHEMBL131452

CC(C)OC(=O)c1cc[c]cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA7 P43166 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 6/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL126083 0.80 MAPK1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL131459 0.76 CYP1A2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL752887 0.76 CHRM2 (0.44) ALDH1A1NPC1RAB9AADORA3
SCHEMBL398283 0.74
SCHEMBL132203 0.73 ALDH1A1 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL129258 0.72 ALDH1A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL129051 0.72 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL30731163 0.71 KMT2A (0.58) CA12CA1CA2CA7CA9
SCHEMBL9944382 0.71 KMT2A (0.58) CA12CA1CA2CA7CA9
SCHEMBL129083 0.71

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 CA12 2239/4885CA1 2208/4885CA2 1429/4885

“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.