SCHEMBL22862520

SCHEMBL22862520

Cn1c(=O)oc2ccc(Cn3cnc(-c4c(F)cccc4F)c3C3CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ IDO1 P14902 3/20 0.35
▸ MIF P14174 2/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ HCRTR1 O43613 4/20 0.34
▸ HCRTR2 O43614 4/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 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
SCHEMBL22862870 0.85 RAD52 (0.37) GABRG2GABRB3GABRA5IDO1MIF
SCHEMBL22862559 0.85 THRB (0.40) PDE1CTP53KMT2AL3MBTL1LMNA
SCHEMBL29490282 0.85 THRB (0.40) PDE1CTP53KMT2AL3MBTL1LMNA
SCHEMBL22862518 0.74 RAD52 (0.33) GABRG2GABRB3GABRA5DDB1CRBN
SCHEMBL22862654 0.73 HDAC4 (0.39) CACNA1GCACNA1HCACNA1ILMNA
SCHEMBL22862599 0.72 HDAC4 (0.39) CACNA1GCACNA1HCACNA1ILMNA
SCHEMBL22862944 0.70 MAPK14 (0.38) PDE1CTP53L3MBTL1LMNAPKM
SCHEMBL22862777 0.70 KDM4E (0.37) PDE1CTP53L3MBTL1LMNAPKM
SCHEMBL22862994 0.70 KDM4E (0.37) PDE1CTP53L3MBTL1PKM
SCHEMBL22862432 0.69 MAPK14 (0.42) PDE1CL3MBTL1LMNAPKMPOLB

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP 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 GABRG2 2588/4885GABRB3 2048/4885GABRA5 3377/4885

“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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