SCHEMBL126718

SCHEMBL126718

Oc1cccc(I)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RIPK1 Q13546 1/20 0.34
HTR2C P28335 4/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR4 Q13639 2/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 1/20 0.34
CXCR5 P32302 1/20 0.33
HTR1A P08908 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
TLR4 O00206 1/20 0.32
TLR2 O60603 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
SCHEMBL31533374 0.87 PARP15 (0.41) PARP15PARP10PARP2NFKB1NFKB2
SCHEMBL3401321 0.79 THRA (0.36) PARP15PARP10PARP2RIPK1HTR2C
SCHEMBL5115860 0.74 CXCR5 (0.43) PARP15PARP10PARP2NFKB1NFKB2
SCHEMBL127465 0.73 THRA (0.38) PARP15PARP10PARP2HTR2CHTR2A
SCHEMBL131630 0.73 RIPK1 (0.39) RIPK1HTR2CHTR2AHTR7HTR4
SCHEMBL3725334 0.71 GAA (0.55) NFKB1NFKB2RELARIPK1HTR2C
SCHEMBL2548494 0.69 PARP10 (0.46) PARP15PARP10PARP2HTR3A
SCHEMBL4613843 0.67 CA1 (0.52)
SCHEMBL4689042 0.67 PARP15 (0.37) PARP15PARP10PARP2RIPK1HTR2C
SCHEMBL760442 0.67 HTR2C (0.45) HTR2CHTR2AHTR7HTR4HTR2B

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 PARP15 837/4885PARP10 1059/4885PARP2 1035/4885

“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.