Sugi Predict

Sugi Predict / Compounds / SCHEMBL4155718

SCHEMBL4155718

SCHEMBL4155718

CCOC(=O)Cn1ncc2c1C(C(=O)OC)N1C[C@H]2N(OCc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL4155713 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4695546 0.91 KCNA5 (0.34) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4695537 0.91 KCNA5 (0.34) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4695543 0.91 KCNA5 (0.34) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5185334 0.90 KCNA5 (0.33) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL22031083 0.89 PLA2G10 (0.37) SMN1; SMN2KMT2AMEN1LMNATSHR
SCHEMBL22030701 0.88 KCNA5 (0.33) SMN1; SMN2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4130795 0.87 POLB (0.35) SMN1; SMN2L3MBTL1LMNANPC1RAB9A
SCHEMBL4130799 0.87 POLB (0.35) SMN1; SMN2L3MBTL1LMNANPC1RAB9A
SCHEMBL22030700 0.86 KCNA5 (0.32) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 — — US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 — — US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 — — 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 (2 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB SMN1; SMN2 4403/4885CYP1A2 364/4885CYP3A4 559/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI SMN1; SMN2 4482/4885CYP1A2 409/4885CYP3A4 568/4885

“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.