Sugi Predict

Sugi Predict / Compounds / SCHEMBL3272787

SCHEMBL3272787

SCHEMBL3272787

CC(C)(C)C1C(=NO)[C@H](CNC(=O)OCc2ccccc2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ PREP P48147 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ FKBP1A P62942 1/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL3272820 0.86 SMN1; SMN2 (0.41) SMN1; SMN2LMNAABCB1PREPALDH1A1
SCHEMBL3107583 0.74 SMN1; SMN2 (0.41) SMN1; SMN2LMNAABCB1PREPALDH1A1
SCHEMBL3274656 0.74 SMN1; SMN2 (0.41) SMN1; SMN2LMNAABCB1PREPALDH1A1
SCHEMBL3273428 0.73 PDK1 (0.42) SMN1; SMN2LMNAABCB1PREPALDH1A1
SCHEMBL3272148 0.72 PREP (0.45) SMN1; SMN2LMNAPREPALDH1A1HTT
SCHEMBL13382577 0.72 KDM4E (0.46) SMN1; SMN2LMNAABCB1HTTMEN1
SCHEMBL3272782 0.72 KDM4E (0.46) SMN1; SMN2LMNAABCB1HTTMEN1
SCHEMBL13382306 0.72 KDM4E (0.46) SMN1; SMN2LMNAABCB1HTTMEN1
SCHEMBL19100157 0.71 LMNA (0.46) SMN1; SMN2LMNAABCB1PREPALDH1A1
SCHEMBL18334891 0.71 TGM2 (0.46) SMN1; SMN2LMNAPREPALDH1A1FKBP1A

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-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 — — US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 — — 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 (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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 SMN1; SMN2 2301/4885LMNA 2029/4885ABCB1 2888/4885

“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.