SCHEMBL19166891

SCHEMBL19166891

O=c1c(Cl)c(-c2cccs2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.51
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HPGD P15428 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
SCHEMBL13319104 0.80 TYMP (0.50) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23522670 0.78 TYMP (0.48) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19165321 0.75 TYMP (0.44) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24625465 0.74 TYMP (0.46) TYMPKDM4EMEN1KMT2AMAPT
SCHEMBL7135870 0.74 MAPT (0.52) TYMPKDM4EMEN1KMT2AMAPT
SCHEMBL2478481 0.71 TYMP (0.47) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9338973 0.70 TYMP (0.46) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19924792 0.68 TYMP (0.41) TYMPGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3545 0.68 L3MBTL1 (0.57) KDM4EMEN1KMT2AMAPTGAA
SCHEMBL16291133 0.68 L3MBTL1 (0.57) KDM4EMEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10374258-B2 Cyclobutenedione derivative, nonaqueous electrolytic solution, and lithium ion secondary battery NEC CORPORATION (JP) 2019-08-06 — — US disclosed
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY NEC CORPORATION (JP) 2017-07-27 — — US disclosed
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY NEC CORPORATION (JP) 2017-07-27 — — 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 (2 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-10374258-B2 Cyclobutenedione derivative, nonaqueous electrolytic solution, and lithium ion secondary battery HSD17B11, HSD17B7, HSD17B2 TYMP 3352/4885GRIN2D 1015/4885GRIN3B 1253/4885
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY HSD17B11, HSD17B7, HSD17B2 TYMP 3352/4885GRIN2D 1015/4885GRIN3B 1253/4885

“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.

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