SCHEMBL4252487

SCHEMBL4252487

CCC(C(=O)OC)c1c(C)cnn(-c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
BLM P54132 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NR4A3 Q92570 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL4257847 0.88 ALDH1A1 (0.44) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL4254704 0.81 TSHR (0.44) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL3175282 0.78 L3MBTL1 (0.39) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL4253389 0.76 CASP3 (0.42) ALDH1A1HPGD
SCHEMBL4254368 0.73 TSHR (0.47) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL3182485 0.71 BRD4 (0.44) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL27751733 0.70 MAPK1 (0.46) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL3173168 0.70 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL21382677 0.69 MAPK1 (0.50) ALDH1A1GAASMN1; SMN2MAPTPPARG
SCHEMBL4553650 0.69 ALDH1A1 (0.63) ALDH1A1HPGDGAASMN1; SMN2MAPT

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 6 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
CN-101506174-B Caspase inhibitors based on pyridazinone scaffold LG LIFE SCIENCES LTD 2012-05-02 CN 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
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 ALDH1A1 3705/4885HPGD 1042/4885GAA 1409/4885

“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.