SCHEMBL22862777

SCHEMBL22862777

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4cc(F)ccc4F)c3C3CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ ALOX5 P09917 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
SCHEMBL22862994 0.92 KDM4E (0.37) KDM4ESMN1; SMN2MAPK14TSHRL3MBTL1
SCHEMBL22862944 0.85 MAPK14 (0.38) KDM4ESMN1; SMN2MAPK14TSHRL3MBTL1
SCHEMBL22862773 0.85 CYP11B2 (0.38) KDM4ESMN1; SMN2MAPK14TSHRL3MBTL1
SCHEMBL29490282 0.84 THRB (0.40) KDM4ESMN1; SMN2TSHRL3MBTL1TP53
SCHEMBL22862559 0.84 THRB (0.40) KDM4ESMN1; SMN2TSHRL3MBTL1TP53
SCHEMBL22862877 0.83 SIGMAR1 (0.39) —
SCHEMBL22862770 0.83 KDM4E (0.33) KDM4EMAPK14PDE1CALDH1A1CYP11B2
SCHEMBL22862640 0.83 SMN1; SMN2 (0.41) SMN1; SMN2TSHRL3MBTL1TP53LMNA
SCHEMBL29490281 0.83 SMN1; SMN2 (0.41) SMN1; SMN2TSHRL3MBTL1TP53LMNA
SCHEMBL22862548 0.82 POLB (0.45) SMN1; SMN2MAPK14TSHRL3MBTL1PDE1C

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 KDM4E 4111/4885SMN1; SMN2 2633/4885MAPK14 765/4885

“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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