SCHEMBL130300

SCHEMBL130300

[CH2]c1cnc(C(=O)OC)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
NCOA1 Q15788 2/20 0.34
NCOA3 Q9Y6Q9 2/20 0.34
LMNA P02545 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 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
SCHEMBL128676 0.79 CDC7 (0.48) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL130301 0.78 MAPK1 (0.44) MAPK1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL24958731 0.78 MAPK1 (0.44) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL128184 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1TSHRKMT2A
SCHEMBL13260686 0.76 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL12766570 0.76 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL24369745 0.76 ALDH1A1 (0.46) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL25223823 0.76 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL19897416 0.76 MAPK1 (0.40) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1
SCHEMBL127464 0.76 ALDH1A1 (0.42) MAPK1ALDH1A1KDM4EL3MBTL1NPSR1

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 MAPK1 3503/4885ALDH1A1 580/4885KDM4E 1902/4885

“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.