SCHEMBL21020129

SCHEMBL21020129

Cc1cc(C2=CN(Cc3ccc4c(c3)OCO4)C(O)C(F)=C2)nc(S(=O)(=O)CCCN(c2ccccc2)C2CCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ TP53 P04637 5/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ HTT P42858 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL21019475 0.90 TRPM8 (0.37) OPRM1OPRD1TP53SMN1; SMN2LMNA
SCHEMBL21020130 0.81 ALDH1A1 (0.35) TP53CTSLALDH1A1KMT2A
SCHEMBL21019915 0.79 SDHB (0.43) TP53SMN1; SMN2HPGDLMNAHTT
SCHEMBL21019920 0.79 TP53 (0.35) TP53LMNAALDH1A1KMT2A
SCHEMBL21019476 0.71 SDHB (0.39) TP53SMN1; SMN2CHRM2CHRM5CHRM1
SCHEMBL21020127 0.69 SDHB (0.40) TP53SMN1; SMN2LMNACHRM2CHRM5
SCHEMBL21019919 0.69 TP53 (0.36) TP53KDM4EALDH1A1KMT2A
SCHEMBL29976665 0.67 ALDH1A1 (0.38) SMN1; SMN2HPGDLMNAHTTKDM4E
SCHEMBL21020508 0.66 SDHB (0.32) —
SCHEMBL21019834 0.66 — —

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 OPRM1 4469/4885OPRD1 3899/4885TP53 160/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB OPRM1 4469/4885OPRD1 3899/4885TP53 160/4885

“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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