SCHEMBL131244

SCHEMBL131244

[CH2]c1cc(C(O)(C(F)(F)F)C(F)(F)F)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.35
NR1H3 Q13133 12/20 0.35
MLYCD O95822 1/20 0.35
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
AR P10275 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 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
SCHEMBL128198 0.79 NR1H2 (0.36) NR1H2NR1H3MLYCDMEN1MAPK1
SCHEMBL127046 0.78 MPL (0.33) TSHR
SCHEMBL131245 0.75 MLYCD (0.43) NR1H2NR1H3MLYCDMEN1MAPK1
SCHEMBL129652 0.74
SCHEMBL8586265 0.69 NR1H2 (0.48) NR1H2NR1H3MLYCDMEN1MAPK1
SCHEMBL129409 0.67 MLYCD (0.31) MLYCDMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL128398 0.64 NR1H2 (0.56) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL131990 0.63 NR1H2 (0.68) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL11884233 0.62 CES2 (0.48) NR1H2NR1H3MLYCDMEN1MAPK1
SCHEMBL129961 0.62 NR1H3 (0.42) NR1H2NR1H3MEN1MAPK1KMT2A

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

“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.