SCHEMBL130132

SCHEMBL130132

[CH2]Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.52
NR1H3 Q13133 16/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
MLYCD O95822 2/20 0.44

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
SCHEMBL131990 0.81 NR1H2 (0.68) NR1H2NR1H3SMN1; SMN2MLYCD
SCHEMBL14636831 0.80 NR1H2 (0.53) NR1H2NR1H3MLYCD
SCHEMBL128398 0.79 NR1H2 (0.56) NR1H2NR1H3SMN1; SMN2MLYCD
SCHEMBL1512233 0.78 NR1H3 (0.52) NR1H2NR1H3MLYCD
SCHEMBL130133 0.78 NR1H2 (0.62) NR1H2NR1H3MLYCD
SCHEMBL17114565 0.78 NR1H2 (0.52) NR1H2NR1H3MLYCD
Water SCHEMBL1684070 0.78 NR1H2 (0.65) NR1H2NR1H3SMN1; SMN2MLYCD
SCHEMBL10698067 0.78 NR1H2 (0.56) NR1H2NR1H3SMN1; SMN2MLYCD
SCHEMBL18378219 0.77 TAAR1 (0.35)
Hydrochloric Acid SCHEMBL26114490 0.77 NR1H2 (0.50) NR1H2NR1H3MLYCD

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 1338/4885SMN1; SMN2 4613/4885

“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.