SCHEMBL21020592

SCHEMBL21020592

C#CCCS(=O)(=O)c1nc(C2=CN(Cc3ccc(OC)c(OC)c3)C(O)C=C2)cc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 9/20 0.49
▸ TP53 P04637 7/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 5/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ STAT3 P40763 3/20 0.39
▸ STAT1 P42224 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ PAX8 Q06710 1/20 0.39

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
SCHEMBL21019517 0.89 SDHB (0.54) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL21019460 0.84 SDHB (0.50) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL19805991 0.84 SDHB (0.66) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL21020108 0.83 SDHB (0.46) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL21019734 0.77 SDHB (0.56) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL19805886 0.77 SDHB (0.82) SDHB
SCHEMBL21019882 0.75 SDHB (0.58) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL28306444 0.74 SDHB (0.54) SDHBTP53SMN1; SMN2POLBKMT2A
SCHEMBL21020405 0.73 SDHB (0.41) SDHBTP53SMN1; SMN2KMT2ANPSR1
SCHEMBL21019858 0.73 KDM4E (0.34) SDHBTP53POLBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB SDHB 3/4885TP53 160/4885SMN1; SMN2 1698/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB SDHB 3/4885TP53 160/4885SMN1; SMN2 1698/4885

“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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