SCHEMBL4255990

SCHEMBL4255990

COC(=O)Cc1c(C)cn[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 9/20 0.41
GAA P10253 4/20 0.41
KDM5B Q9UGL1 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
USP2 O75604 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.36
RCE1 Q9Y256 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL27751743 0.74 HSD17B10 (0.42) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3174185 0.72 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKDM4EGAAKDM5B
SCHEMBL27395600 0.71 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKDM4EGAAKDM5B
SCHEMBL4574612 0.71 MAPK1 (0.49) SMN1; SMN2MAPTKDM4ETSHRALDH1A1
SCHEMBL17681790 0.69 PDE4D (0.43) SMN1; SMN2MAPTKDM4EGAAKDM5B
SCHEMBL27416794 0.68 HSP90AB1 (0.42) SMN1; SMN2MAPTKDM4EGAAKDM5B
SCHEMBL27403709 0.68 KDM4E (0.50) SMN1; SMN2MAPTKDM4EGAAKDM5B
SCHEMBL19490035 0.67 ALDH1A1 (0.36) SMN1; SMN2MAPTKDM4EGAAKDM5B
SCHEMBL769278 0.66 GAA (0.48) SMN1; SMN2MAPTKDM4EGAAALDH1A1
SCHEMBL7676785 0.66 HSP90AB1 (0.47) SMN1; SMN2MAPTKDM4EGAAKDM5B

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 SMN1; SMN2 2343/4885MAPT 1074/4885KDM4E 1607/4885

“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.