SCHEMBL128396

SCHEMBL128396

COCOc1ccc(Br)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP2C9 P11712 1/20 0.41
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL28009643 0.82 TSHR (0.41) CYP3A4CYP2D6CYP2C19TSHRHIF1A
SCHEMBL2370519 0.81 MAPK1 (0.54) ALOX15CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL873711 0.81 HPGD (0.56) ALOX15TSHRALDH1A1MEN1KMT2A
SCHEMBL14125147 0.81 PTGDR2 (0.42) ALOX15CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL15011014 0.79 TRPA1 (0.45) ALOX15CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL2178750 0.79 KDM4E (0.45) ALOX15CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL2618834 0.79 KDM4E (0.49) ALOX15TSHRALDH1A1TDP1MEN1
SCHEMBL5252344 0.79 KDM4E (0.45) CYP3A4CYP2D6CYP2C19TSHRHIF1A
SCHEMBL8712221 0.79 PTGDR2 (0.59) ALOX15CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL30152364 0.79 PTGDR2 (0.59) ALOX15CYP3A4CYP2D6CYP2C19TSHR

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
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
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 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 ALOX15 81/4885CYP3A4 91/4885CYP2D6 10/4885

“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.