SCHEMBL22862856

SCHEMBL22862856

Cn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3C3CCOC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE1C Q14123 4/20 0.35
▸ PDE1A P54750 3/20 0.35
▸ PDE1B Q01064 3/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ TRIM24 O15164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29490177 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL29490249 0.96 SMN1; SMN2 (0.37) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862855 0.96 SMN1; SMN2 (0.37) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862953 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL29490310 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862779 0.86 TRIM24 (0.40) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862638 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL29490202 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL24704281 0.81 SMN1; SMN2 (0.35) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862945 0.75 RAD52 (0.38) SMN1; SMN2TSHRL3MBTL1LMNAHTT

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 SMN1; SMN2 2633/4885TSHR 4763/4885L3MBTL1 241/4885

“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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