SCHEMBL4256005

SCHEMBL4256005

CCOC(=O)C(CC)c1ccnn(COC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HCRTR1 O43613 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4256751 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPK1POLB
SCHEMBL4252764 0.79 ALDH1A1 (0.53) LMNACYP2C9CYP3A4ALDH1A1RAB9A
SCHEMBL4257857 0.79 NPBWR1 (0.45) LMNACYP2C9CYP3A4ALDH1A1RAB9A
SCHEMBL4256068 0.78 LMNA (0.48) LMNAALDH1A1NPSR1NPBWR1KDM4E
SCHEMBL4257569 0.77 ALDH1A1 (0.51) LMNACYP3A4ALDH1A1CYP1A2HPGD
SCHEMBL4256502 0.77 FEN1 (0.39) LMNACYP2C9CYP3A4ALDH1A1RAB9A
SCHEMBL4259805 0.77 TSHR (0.46) ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL4255683 0.77 PKM (0.47) LMNAALDH1A1PKMKMT2AGAA
SCHEMBL4253448 0.76 JAK1 (0.39) LMNAALDH1A1NPC1RAB9APKM
SCHEMBL4256833 0.76 RECQL (0.42) LMNACYP2C9ALDH1A1NPC1RAB9A

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 LMNA 114/4885CYP2C9 931/4885CYP3A4 282/4885

“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.