SCHEMBL126436

SCHEMBL126436

Cc1csc(C(C)(C)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.48
ESR1 P03372 1/20 0.37
RAF1 P04049 1/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TPMT P51580 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL1492701 0.80 CES2 (0.42) DAOGLRA3GLRBHCAR3HCAR2
SCHEMBL126435 0.78 GLRA3 (0.33) DAOGLRA3GLRB
SCHEMBL129508 0.74 MAPT (0.33) DAOGLRA3GLRBKDM4ECYP1A2
SCHEMBL4363636 0.74 HPGD (0.42) DAO
SCHEMBL132181 0.74 ESR1 (0.41) DAOESR1RAF1
SCHEMBL280067 0.73 ESR1 (0.40) DAOESR1RAF1MAPK14
SCHEMBL4426957 0.73 DAO (0.39) DAOESR1CYP2C9
SCHEMBL15023276 0.71 SMN1; SMN2 (0.44) KDM4ECYP1A2CYP2C9
SCHEMBL7958024 0.71 DAO (0.40) DAOESR1RAF1KDM4ECYP1A2
SCHEMBL10835481 0.69 ESR1 (0.41) DAOESR1RAF1

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 DAO 388/4885ESR1 2552/4885RAF1 1113/4885

“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.