SCHEMBL130948

SCHEMBL130948

CC1(C)C=Cc2c(Br)ccc(OC(F)F)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CA2 P00918 1/20 0.33
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL131885 0.79
SCHEMBL130872 0.79 PDE4A (0.30)
SCHEMBL128614 0.77 PDE4D (0.37) PDE4DKDM4ECASP1CASP7CA12
SCHEMBL16844641 0.74 MAPT (0.43) PDE4DHDAC1HDAC7HDAC2HDAC6
SCHEMBL30937341 0.69 KDM4E (0.46) PDE4DHDAC1HDAC7HDAC2HDAC6
SCHEMBL128746 0.67 DHFR (0.30)
SCHEMBL30901266 0.64 KDM4E (0.50) HDAC1HDAC7HDAC2HDAC6KDM4E
SCHEMBL30937334 0.63 PTPN1 (0.37) PDE4DHDAC1HDAC7HDAC2HDAC6
SCHEMBL7299406 0.62 PDE4D (0.49) PDE4DKDM4ECASP1CASP7CA12
SCHEMBL4312443 0.62 ALDH1A1 (0.34) ALDH1A1TSHR

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 6 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
CN-101374844-B Pyrrolopyridazinone compound UBE INDUSTRIES 2012-10-24 CN 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 PDE4D 3827/4885HDAC1 561/4885HDAC7 1784/4885

“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.