SCHEMBL513275

SCHEMBL513275

CCOC(=O)Oc1c(O)c(C)nn(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 5/20 0.37
ALDH1A1 P00352 5/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SOAT1 P35610 1/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CUL4A Q13619 1/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
TNF P01375 1/20 0.32
MAPT P10636 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL513375 0.81 CDK8 (0.34) SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL1517574 0.72 MAPT (0.37) SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL30080540 0.71 LMNA (0.43) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
SCHEMBL513276 0.71 TNF (0.40) SMN1; SMN2LMNAALDH1A1L3MBTL1CUL4A
SCHEMBL9208273 0.69 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1NPSR1KDM4EL3MBTL1
SCHEMBL10918321 0.69 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1NPSR1SOAT1KDM4E
SCHEMBL8142970 0.68 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1KDM4EPOLB
Bicarbonate SCHEMBL513277 0.68 CDK8 (0.37) SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL393866 0.68 TP53 (0.48) SMN1; SMN2LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL10915450 0.66 PKM (0.47) SMN1; SMN2LMNAALDH1A1POLBPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR SMN1; SMN2 1710/4885LMNA 1748/4885ALDH1A1 1293/4885

“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.