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Sugi Predict / Compounds / SCHEMBL3929353

SCHEMBL3929353

SCHEMBL3929353

COc1ccc(COc2cc(C(=O)c3ccc(CO)nc3)cc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 10/20 0.36
▸ SMPD1 P17405 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL3933545 0.92 VNN1 (0.35) VNN1SMPD1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3926276 0.91 VNN1 (0.37) VNN1SMPD1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3931122 0.88 KMT2A (0.43) VNN1SMPD1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3927709 0.79 MAOB (0.40) SMPD1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL3925114 0.77 KDM4E (0.40) SMPD1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL3934029 0.75 DYRK1B (0.42) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL3929259 0.73 KDR (0.39) VNN1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL3929916 0.72 DYRK1B (0.40) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL3925118 0.72 BRD4 (0.32) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL3931771 0.66 HTT (0.38) SMN1; SMN2ALDH1A1MAPTHTTNPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 — — US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 — — WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 — — 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 VNN1 3224/4885SMPD1 4616/4885SMN1; SMN2 3082/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 VNN1 3261/4885SMPD1 4584/4885SMN1; SMN2 3034/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 VNN1 3106/4885SMPD1 4219/4885SMN1; SMN2 213/4885

“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.