SCHEMBL4255564

SCHEMBL4255564

CCOC(=O)Cc1c(Cl)cnn(COC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
HTT P42858 7/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
S1PR2 O95136 3/20 0.44
HPGD P15428 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
CYP2C9 P11712 2/20 0.44
HCRTR1 O43613 1/20 0.44
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40

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
SCHEMBL4251584 0.81 ALDH1A1 (0.57) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL4573922 0.81 NPBWR1 (0.60) ALDH1A1HTTSMN1; SMN2NPBWR1MCHR1
SCHEMBL27865453 0.79 NPC1 (0.41) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL4256051 0.77 ALDH1A1 (0.44) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL27751746 0.77 ALDH1A1 (0.42) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL4256833 0.76 RECQL (0.42) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL27865454 0.76 NPC1 (0.39) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL29451899 0.75 MEN1 (0.47) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL29451976 0.74 MEN1 (0.46) ALDH1A1HTTNPC1RAB9ALMNA
SCHEMBL29451496 0.73 MEN1 (0.46) ALDH1A1HTTNPC1RAB9ALMNA

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-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
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
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 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
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 ALDH1A1 3705/4885HTT 3351/4885NPC1 3383/4885

“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.