SCHEMBL128138

SCHEMBL128138

Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 12/20 0.41
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DAO P14920 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
SCHEMBL14593400 0.84 MLYCD (0.42) MLYCDNR1H2NR1H3DAO
SCHEMBL18256807 0.77 DAO (0.32) SMN1; SMN2DAO
SCHEMBL14593301 0.77 MLYCD (0.42) MLYCDNR1H2NR1H3SMN1; SMN2
SCHEMBL129044 0.77 DAO (0.45) SMN1; SMN2DAO
SCHEMBL128137 0.76 MLYCD (0.38) MLYCDNR1H2NR1H3DAO
SCHEMBL16548502 0.75 NPC1 (0.38) SMN1; SMN2DAO
SCHEMBL128148 0.75 MAPT (0.38) SMN1; SMN2DAO
SCHEMBL8448158 0.73 DAO (0.32) SMN1; SMN2DAO
SCHEMBL27609951 0.71 DAO (0.35) SMN1; SMN2DAO
SCHEMBL15139152 0.70 RIPK1 (0.37) SMN1; SMN2DAO

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 MLYCD 481/4885NR1H2 857/4885NR1H3 1338/4885

“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.