Sugi Predict

Sugi Predict / Compounds / SCHEMBL3938426

SCHEMBL3938426

SCHEMBL3938426

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ HPGDS O60760 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35

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) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL3931771 0.89 HTT (0.38) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL3928721 0.86 MAPK10 (0.42) TSHRALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL3937139 0.85 BTK (0.40) ALDH1A1HTTMAPTCYP3A4
SCHEMBL3930000 0.80 KMT2A (0.35) TSHRALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL3928111 0.79 HPGDS (0.67) TSHRHPGDSL3MBTL1ALDH1A1MAPK1
SCHEMBL3937667 0.77 BRAF (0.39) ALDH1A1MAPK1SMN1; SMN2HTTMAPT
SCHEMBL3931122 0.77 KMT2A (0.43) L3MBTL1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3929172 0.76 PTGER1 (0.35) ALDH1A1NTRK1
SCHEMBL3931914 0.76 MEN1 (0.33) ALDH1A1MAPK1HTTMAPTNPSR1

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 TSHR 2525/4885HPGDS 2149/4885L3MBTL1 385/4885
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 TSHR 2744/4885HPGDS 2109/4885L3MBTL1 415/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 TSHR 2147/4885HPGDS 2387/4885L3MBTL1 344/4885

“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.