SCHEMBL2942463

SCHEMBL2942463

CC(C)(C)OC(=O)N[C@H]1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AKT1 P31749 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ BTK Q06187 1/20 0.32
▸ F2R P25116 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ ACACA Q13085 2/20 0.31
▸ CTSL P07711 1/20 0.31

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
SCHEMBL3367617 0.86 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL3367621 0.86 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL4261324 0.86 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL4356106 0.83 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL4356105 0.83 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL9896401 0.79 BACE1 (0.33) —
SCHEMBL9896400 0.79 BACE1 (0.33) —
SCHEMBL1443032 0.79 BACE1 (0.33) —
SCHEMBL14646990 0.78 KDM1A (0.53) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL13379247 0.77 MAOB (0.39) KDM1AMAOBKMT2AL3MBTL1AKT1

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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KDM1A 3445/4885MAOB 2668/4885KMT2A 3179/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KDM1A 3565/4885MAOB 2147/4885KMT2A 3485/4885

“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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