Sugi Predict

Sugi Predict / Compounds / SCHEMBL3557368

SCHEMBL3557368

SCHEMBL3557368

COC(=O)Cc1cc2cc([Si](C)(C)C)oc2cn1.OCc1cc2ccoc2cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ THRB P10828 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ THRA P10827 1/20 0.34
▸ VDR P11473 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ CHRNA7 P36544 3/20 0.32

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
SCHEMBL102676 0.85 KDM4E (0.39) KDM4EALDH1A1NPC1MAPK1THRB
SCHEMBL844729 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL104140 0.75 DYRK1A (0.37) KDM4EALDH1A1CHRNA7HTR3ADYRK1A
SCHEMBL7504438 0.70 CHRNA7 (0.45) CHRNA7HTR3ADYRK1AHTR3EHTR3B
SCHEMBL7442715 0.66 HTR1B (0.50) KDM4EALDH1A1NPC1MAPK1MAPT
SCHEMBL29875194 0.66 HTR1B (0.50) KDM4EALDH1A1NPC1MAPK1MAPT
SCHEMBL843011 0.66 ALDH1A1 (0.42) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL10555583 0.64 ALDH1A1 (0.36) KDM4EALDH1A1DYRK1A
SCHEMBL29108309 0.63 CYP4F2 (0.53) ALDH1A1NPC1MAPTCYP11B1CYP11B2
SCHEMBL30640107 0.63 CYP4F2 (0.53) ALDH1A1NPC1MAPTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 — — US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 — — US disclosed
EP-2010532-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-01-07 — — EP disclosed
WO-2007122258-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-11-01 — — 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS KDM4E 3912/4885ALDH1A1 3689/4885NPC1 882/4885

“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.