SCHEMBL129675

SCHEMBL129675

CCOC(=O)c1c(Cc2cccc(C(=O)OC(C)(C)C)c2)c(Br)n(COCc2ccccc2)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC7A5 Q01650 1/20 0.38
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTGES O14684 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
IGF1R P08069 1/20 0.34
PPIA P62937 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL128523 0.83 SLC7A5 (0.41) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL130097 0.80 NPC1 (0.42) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL127762 0.78 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL128898 0.78 KMT2A (0.36) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL128624 0.71 TSHR (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL127787 0.69 KMT2A (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL129168 0.66 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7121375 0.65 IGF1R (0.57) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7114812 0.65 IGF1R (0.73) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL12301533 0.64 SLC7A5 (0.65) SMN1; SMN2SLC7A5PKMCYP4F2CYP4A11

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 SMN1; SMN2 4613/4885ALDH1A1 580/4885LMNA 1679/4885

“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.