SCHEMBL4258911

SCHEMBL4258911

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 2/20 0.43
PPARG P37231 2/20 0.43
NCOA2 Q15596 2/20 0.43
NCOA1 Q15788 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PFKFB3 Q16875 1/20 0.43
GAA P10253 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
NPBWR1 P48145 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 3/20 0.42

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
SCHEMBL4254704 0.88 TSHR (0.44) TSHRKDM4EALDH1A1HTTLMNA
SCHEMBL4254582 0.88 NPBWR1 (0.50) KDM4EALDH1A1HTTLMNANPSR1
SCHEMBL4254361 0.84 ALDH1A1 (0.52) TSHRKDM4EALDH1A1HTTLMNA
SCHEMBL27772585 0.80 TSHR (0.48) TSHRKDM4EALDH1A1HTTLMNA
SCHEMBL4257847 0.80 ALDH1A1 (0.44) KDM4EALDH1A1HTTLMNANPSR1
SCHEMBL4252907 0.79 CASP3 (0.43) TSHRKDM4EPFKFB3MEN1KMT2A
SCHEMBL4258174 0.79 NPBWR1 (0.49) KDM4EALDH1A1HTTLMNANPSR1
SCHEMBL3175610 0.77 NOTUM (0.46) KDM4EALDH1A1HTTLMNAHPGD
SCHEMBL19000720 0.75 TSHR (0.61) TSHRKDM4EALDH1A1HTTLMNA
SCHEMBL4259019 0.75 CASP3 (0.36) TSHRKDM4EALDH1A1LMNANPSR1

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 TSHR 4747/4885KDM4E 1607/4885ALDH1A1 3705/4885

“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.