SCHEMBL4255989

SCHEMBL4255989

CCOC(=O)C(C(=O)OCC)c1c(Cl)cnn(Cc2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.51
ALDH1A1 P00352 6/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
CYP19A1 P11511 1/20 0.42
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4258174 0.88 NPBWR1 (0.49) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL29191612 0.87 NPBWR1 (0.60) NPBWR1ALDH1A1HTTSMN1; SMN2MCHR1
SCHEMBL4253339 0.83 NR2E3 (0.48) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL4574748 0.83 NPBWR1 (0.52) NPBWR1MCHR1
SCHEMBL4255992 0.82 NPBWR1 (0.46) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL4256051 0.81 ALDH1A1 (0.44) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL4254582 0.81 NPBWR1 (0.50) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL27751756 0.79 NPBWR1 (0.51) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL4251584 0.79 ALDH1A1 (0.57) NPBWR1ALDH1A1HTTLMNANPSR1
SCHEMBL29191595 0.77 NPBWR1 (0.59) NPBWR1ALDH1A1HTTSMN1; SMN2MCHR1

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 NPBWR1 4356/4885ALDH1A1 3705/4885HTT 3351/4885

“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.