SCHEMBL129155

SCHEMBL129155

COCOc1cccc(Br)c1OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
PTPN1 P18031 1/20 0.38
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTR2C P28335 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
MCHR1 Q99705 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MITF O75030 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
SCHEMBL10209543 0.86 SMN1; SMN2 (0.44) RIPK1HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL17919290 0.84 PTPN1 (0.45) PTPN1DRD2DRD1THRBALDH1A1
SCHEMBL131630 0.82 RIPK1 (0.39) RIPK1PTPN1HCRTR1HCRTR2HTR2C
SCHEMBL2589218 0.78 PDE4D (0.41) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL874503 0.77 PDE4D (0.41) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL7942502 0.76 SMN1; SMN2 (0.50) PTPN1HTR2CALDH1A1LMNA
SCHEMBL2587027 0.74 SMN1; SMN2 (0.57) RIPK1HCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL3401321 0.73 THRA (0.36) RIPK1HTR2CTHRATHRB
SCHEMBL8232372 0.73 THRA (0.36) RIPK1THRATHRB
SCHEMBL5846257 0.73 PTPN1 (0.42) PTPN1DRD2DRD1ALDH1A1LMNA

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 9 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
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
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
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US 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
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 RIPK1 3536/4885PTPN1 2663/4885HCRTR1 282/4885

“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.