SCHEMBL4260164

SCHEMBL4260164

CCOC(=O)C(CC)c1ccnn(Cc2cccc(Br)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4257569 0.89 ALDH1A1 (0.51) KMT2AMEN1L3MBTL1SMN1; SMN2IDO1
SCHEMBL4255663 0.87 KMT2A (0.54) KMT2AMEN1SMN1; SMN2IDO1TDO2
SCHEMBL4256751 0.86 ALDH1A1 (0.47) CYP19A1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4255683 0.86 PKM (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4255715 0.85 NPBWR1 (0.39) CYP19A1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4253857 0.84 NPBWR1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4252839 0.83 NPBWR1 (0.47) PTGDR2KMT2AMEN1ALDH1A1HTT
SCHEMBL8221577 0.79 TP53 (0.38) CYP19A1PTGDR2KMT2AMEN1SMN1; SMN2
SCHEMBL27751967 0.79 MEN1 (0.43) CYP19A1PTGDR2KMT2AMEN1CA12
SCHEMBL13619403 0.78 PTGDR2 (0.38) CYP19A1PTGDR2KMT2AMEN1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 WO 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 CYP19A1 2416/4885PTGDR2 4130/4885KMT2A 3881/4885

“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.