SCHEMBL4255992

SCHEMBL4255992

CCC(C)OC(=O)C(C(=O)O)c1c(Cl)cnn(Cc2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.46
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 4/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4253346 0.85 ALDH1A1 (0.41) NPBWR1ALDH1A1RAB9AHSD17B10MAPK1
SCHEMBL4256053 0.85 ALDH1A1 (0.37) NPBWR1ALDH1A1RAB9AHTTLMNA
SCHEMBL4255989 0.82 NPBWR1 (0.51) NPBWR1ALDH1A1RAB9AHSD17B10MAPK1
SCHEMBL4254582 0.80 NPBWR1 (0.50) NPBWR1ALDH1A1RAB9AHSD17B10MAPK1
SCHEMBL4258174 0.78 NPBWR1 (0.49) NPBWR1ALDH1A1RAB9AMAPK1HTT
SCHEMBL27751756 0.78 NPBWR1 (0.51) NPBWR1ALDH1A1RAB9AHSD17B10HTT
SCHEMBL27751755 0.73 NPBWR1 (0.50) NPBWR1ALDH1A1RAB9AHSD17B10MAPK1
SCHEMBL29191612 0.71 NPBWR1 (0.60) NPBWR1ALDH1A1HTTSMN1; SMN2
SCHEMBL4258911 0.71 TSHR (0.48) NPBWR1ALDH1A1RAB9AHSD17B10MAPK1
SCHEMBL4254361 0.70 ALDH1A1 (0.52) NPBWR1ALDH1A1RAB9AHSD17B10MAPK1

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 3705/4885RAB9A 3925/4885

“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.