SCHEMBL21019873

SCHEMBL21019873

C=C1CC(C)CC(CC)(NC(=O)CCCS(=O)(=O)c2nc(-c3ccc(=O)n(Cc4ccc(OC)c(OC)c4)c3)cc(C(F)F)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 13/20 0.59
▸ TP53 P04637 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ POLB P06746 1/20 0.36
▸ STAT3 P40763 3/20 0.36
▸ STAT1 P42224 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ MAPT P10636 1/20 0.32

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
SCHEMBL21019832 0.88 SDHB (0.66) SDHBTP53SMN1; SMN2POLBSTAT3
SCHEMBL20985729 0.84 SDHB (0.81) SDHBTP53SMN1; SMN2POLBSTAT3
SCHEMBL20985724 0.82 SDHB (0.63) SDHBTP53SMN1; SMN2POLBSTAT3
SCHEMBL20985651 0.80 SDHB (0.64) SDHBTP53SMN1; SMN2POLBSTAT3
SCHEMBL21020171 0.80 SDHB (0.69) SDHBTP53MAPT
SCHEMBL20985693 0.78 SDHB (0.65) SDHBTP53SMN1; SMN2MAPT
SCHEMBL20985674 0.78 SDHB (0.61) SDHBTP53SMN1; SMN2POLBSTAT3
SCHEMBL20985719 0.76 SDHB (0.62) SDHBTP53SMN1; SMN2MAPT
SCHEMBL26312667 0.76 SDHB (0.63) SDHBTP53MAPT
SCHEMBL19806001 0.74 SDHB (1.00) SDHBTP53SMN1; SMN2POLBSTAT3

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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