SCHEMBL129508

SCHEMBL129508

[CH2]Cc1csc(C(C)(C)C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BLM P54132 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGS2 P35354 1/20 0.32
MTOR P42345 1/20 0.32
RECQL P46063 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
SCHEMBL127808 0.78
SCHEMBL126435 0.77 GLRA3 (0.33) GLRA3GLRBDAO
SCHEMBL126436 0.74 DAO (0.48) MAPTCYP1A2KDM4EGLRA3GLRB
SCHEMBL1492701 0.74 CES2 (0.42) CYP1A2ALDH1A1GLRA3GLRBDAO
SCHEMBL128532 0.70
SCHEMBL127292 0.68 DAO (0.59) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL21448955 0.68 RXRA (0.44) MAPTNPSR1BLMCYP1A2KDM4E
SCHEMBL127736 0.67 HRH3 (0.43) MAPTBLMKMT2A
SCHEMBL128373 0.67 TSHR (0.34) NPSR1BLMALDH1A1HPGDRECQL
SCHEMBL129671 0.66 CYP2C19 (0.50) MAPTCYP1A2MEN1KMT2ACYP2C19

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 MAPT 4877/4885NPSR1 859/4885BLM 4094/4885

“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.