SCHEMBL128143

SCHEMBL128143

CC(C)OC(=O)c1ccc[c]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.46
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA7 P43166 6/20 0.44
CA9 Q16790 6/20 0.44
CA14 Q9ULX7 6/20 0.44
LMNA P02545 3/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL128329 0.80 MAPK1 (0.42) ALDH1A1MAPTCA12CA1CA2
SCHEMBL1815292 0.76 HPGDS (0.40) ALDH1A1MAPTCA12CA1CA2
SCHEMBL12615436 0.76 NPC1 (0.42) ALDH1A1NPC1RAB9AADORA3KDM4E
SCHEMBL127485 0.76 CYP1A2 (0.61) ALDH1A1MAPTCA12CA1CA2
SCHEMBL128427 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKMT2AADORA3
SCHEMBL9944382 0.71 KMT2A (0.58) ALDH1A1MAPTCA12CA1CA2
SCHEMBL30731163 0.71 KMT2A (0.58) ALDH1A1MAPTCA12CA1CA2
SCHEMBL127796 0.71 TSHR (0.53) ALDH1A1MAPTLMNAKDM4ETP53
SCHEMBL9944389 0.70 ALDH1A1 (0.59) ALDH1A1MAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL29121031 0.70 KMT2A (0.57) ALDH1A1MAPTCA12CA1CA2

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 ALDH1A1 580/4885MAPT 4877/4885CA12 2239/4885

“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.