Sugi Predict

Sugi Predict / Compounds / SCHEMBL7045400

SCHEMBL7045400

SCHEMBL7045400

COC(=O)NNc1ccc([N+](=O)[O-])c(N2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.53
▸ MAPT P10636 13/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ LMNA P02545 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ PKM P14618 2/20 0.46

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
SCHEMBL7041473 0.82 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL5098076 0.80 MAPT (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7805753 0.80 MAPT (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL3536101 0.79 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7808036 0.78 MAPT (0.64) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7047484 0.78 MEN1 (0.53) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL23628934 0.77 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL7044425 0.77 ATM (0.46) ALDH1A1MAPTCYP1A2CYP2C19LMNA
SCHEMBL5427201 0.77 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1LMNAPOLB
SCHEMBL5098517 0.75 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19

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-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 — — US disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 — — US disclosed
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 — — 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-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals CNR1, PTGER1, CNR2 ALDH1A1 664/4885MAPT 4852/4885L3MBTL1 3383/4885
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE ALDH1A1 61/4885MAPT 4762/4885L3MBTL1 435/4885

“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.