SCHEMBL129205

SCHEMBL129205

[CH2]c1ccc(C(C)(C)C(=O)O)nc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
CYP2C19 P33261 1/20 0.34
MAP4K4 O95819 1/20 0.31
P4HA1 P13674 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL31292454 0.79 RAB9A (0.43) DGAT1CYP2C19SLC22A12
SCHEMBL129206 0.79 RAB9A (0.43) DGAT1CYP2C19SLC22A12
SCHEMBL1759981 0.78 DGAT1 (0.41) DGAT1CYP2C19SLC22A12
SCHEMBL3759061 0.78 ALDH1A1 (0.48) DGAT1CYP2C19SLC22A12
SCHEMBL131690 0.77 PPARD (0.36) DGAT1CYP2C19P4HTM
SCHEMBL133858 0.76 TGFBR1 (0.34) CYP2C19
SCHEMBL15122279 0.76 TRPV4 (0.32)
SCHEMBL3180860 0.75 KMT2A (0.49) DGAT1SLC22A12
SCHEMBL31292214 0.74 DGAT1 (0.39) DGAT1CYP2C19
SCHEMBL38656034 0.73 DGAT1 (0.43) DGAT1SLC22A12

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 DGAT1 2027/4885CYP2C19 44/4885MAP4K4 2538/4885

“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.