SCHEMBL131245

SCHEMBL131245

Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cs1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
NR1H2 P55055 11/20 0.39
NR1H3 Q13133 11/20 0.39
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DAO P14920 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL127047 0.78 DAO (0.37) CHRM3MEN1TSHRKMT2ADAO
SCHEMBL24724927 0.76 DAO (0.35) CHRM3DAO
SCHEMBL129653 0.76 CHRM3 (0.41) CHRM3MAPK1DAO
SCHEMBL131244 0.75 NR1H2 (0.35) MLYCDNR1H2NR1H3MEN1ALOX15
SCHEMBL25447363 0.74 DAO (0.34) CHRM3DAO
SCHEMBL23188082 0.71 DAO (0.32) CHRM3DAO
SCHEMBL128198 0.71 NR1H2 (0.36) MLYCDNR1H2NR1H3MEN1ALOX15
SCHEMBL10153919 0.70 DAO (0.38) CHRM3ALOX15TSHRHSD17B10DAO
SCHEMBL8586265 0.69 NR1H2 (0.48) MLYCDNR1H2NR1H3MEN1ALOX15
SCHEMBL10215034 0.69 MLYCD (0.48) MLYCDNR1H2NR1H3MEN1ALOX15

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.