SCHEMBL128523

SCHEMBL128523

CCOC(=O)c1c(Cc2cccc(C(=O)OC(C)(C)C)c2)cn(COCc2ccccc2)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 5/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
MEP1B Q16820 1/20 0.34
F10 P00742 1/20 0.34
PPIA P62937 1/20 0.34

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
SCHEMBL129675 0.83 SMN1; SMN2 (0.38) SLC7A5CRHBPCRHR2SMN1; SMN2ALDH1A1
SCHEMBL129168 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL127986 0.79 NPC1 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL128226 0.77 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL128773 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL128231 0.77 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL127787 0.76 KMT2A (0.44) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL129380 0.70 UCHL1 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL12301533 0.65 SLC7A5 (0.65) SLC7A5SMN1; SMN2CYP4F2CYP4A11PKM
SCHEMBL128624 0.64 TSHR (0.46) SMN1; SMN2ALDH1A1LMNAMAPTNPC1

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 SLC7A5 1446/4885CRHBP 1779/4885CRHR2 250/4885

“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.