SCHEMBL4254535

SCHEMBL4254535

CCOC(=O)C(C(=O)OCC)c1cnn(COC)c(=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.44
RAB9A P51151 12/20 0.44
HTT P42858 11/20 0.44
NPC1 O15118 10/20 0.44
NPSR1 Q6W5P4 10/20 0.44
LMNA P02545 9/20 0.44
S1PR4 O95977 4/20 0.44
S1PR1 P21453 4/20 0.44
S1PR2 O95136 3/20 0.44
HSP90AA1 P07900 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
TLR9 Q9NR96 2/20 0.44
HCRTR1 O43613 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 9/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL4256051 0.82 ALDH1A1 (0.44) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL4253339 0.81 NR2E3 (0.48) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL29191615 0.81 NPBWR1 (0.54) ALDH1A1HTTPKMSMN1; SMN2NPBWR1
SCHEMBL4254540 0.80 ALDH1A1 (0.37) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL1372817 0.73 HTT (0.56) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL4255564 0.72 ALDH1A1 (0.44) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL25968386 0.72 HPGD (0.34) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL4256005 0.71 LMNA (0.38) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL1375635 0.70 ALDH1A1 (0.50) ALDH1A1RAB9AHTTNPC1NPSR1
SCHEMBL27848654 0.68 RAB9A (0.41) ALDH1A1RAB9AHTTNPC1NPSR1

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 3 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
CN-101506174-A Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD (KR) 2009-08-12 CN 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 3705/4885RAB9A 3925/4885HTT 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.