SCHEMBL129264

SCHEMBL129264

[CH2]c1csc(C(=O)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 4/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TSHR P16473 1/20 0.32
PRKCZ Q05513 1/20 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
SCHEMBL129265 0.78 MAPT (0.43) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL162705 0.78 ALDH1A1 (0.42) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL15319329 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL1682676 0.77 GRM5 (0.48) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL1722300 0.77 HPGD (0.39) ALDH1A1NPSR1MAPTKDM4EHPGD
SCHEMBL128540 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL17716404 0.76 L3MBTL1 (0.50) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL16371343 0.76 MAPT (0.45) ALDH1A1NPSR1KMT2AMAPTMEN1
SCHEMBL128970 0.75
SCHEMBL21448956 0.74 ATAD2 (0.44) ALDH1A1NPSR1KMT2AMAPTMEN1

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 ALDH1A1 580/4885NPSR1 859/4885KMT2A 3400/4885

“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.