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Sugi Predict / Compounds / SCHEMBL3931771

SCHEMBL3931771

SCHEMBL3931771

COC(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ PIK3C3 Q8NEB9 2/20 0.34
▸ TEK Q02763 1/20 0.34
▸ NEK1 Q96PY6 1/20 0.34
▸ CSF1R P07333 1/20 0.33
▸ TP53 P04637 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
SCHEMBL3931607 0.91 HTT (0.39) HTTSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL3937139 0.89 BTK (0.40) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL3938426 0.89 TSHR (0.42) HTTSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL3928721 0.87 MAPK10 (0.42) HTTSMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL3931914 0.87 MEN1 (0.33) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL4794594 0.86 PIK3C3 (0.34) RAB9APIK3C3
SCHEMBL3925441 0.84 PTGES (0.35) HTTRAB9AMEN1KMT2ACSF1R
SCHEMBL3930000 0.82 KMT2A (0.35) HTTSMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL3936691 0.81 BTK (0.30) —
SCHEMBL3931122 0.79 KMT2A (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT

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 HTT 3972/4885SMN1; SMN2 3082/4885TSHR 2525/4885
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 HTT 3953/4885SMN1; SMN2 3034/4885TSHR 2744/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 HTT 2987/4885SMN1; SMN2 213/4885TSHR 2147/4885

“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.