Sugi Predict

Sugi Predict / Compounds / SCHEMBL265305

SCHEMBL265305

SCHEMBL265305

O=C(CCCC(=O)NCCOCCOCCNC(=O)CCc1ccc(C(=O)ON2C(=O)CCC2=O)cc1)NCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ MMP8 P22894 1/20 0.33
▸ EPOR P19235 1/20 0.33

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
SCHEMBL13889219 0.95 NAMPT (0.33) LMNAKDM4ENAMPTMMP2MMP9
SCHEMBL265249 0.92 MMP2 (0.40) MMP2MMP9MMP3HDAC1HDAC2
SCHEMBL265306 0.91 MMP2 (0.33) LMNAKDM4ENAMPTMMP2MMP9
SCHEMBL265660 0.89 MMP2 (0.41) MMP2MMP9MMP3HPGDHDAC1
SCHEMBL271195 0.87 MMP2 (0.39) MMP2MMP9MMP3HDAC1HDAC2
SCHEMBL271111 0.86 LMNA (0.42) LMNAKDM4EMMP2MMP9MMP3
SCHEMBL12457026 0.84 MMP2 (0.40) MMP2MMP9MMP3HPGDHDAC1
SCHEMBL264182 0.84 ALDH1A1 (0.48) LMNAKDM4EMMP2MMP9MMP3
SCHEMBL301236 0.82 MMP2 (0.43) LMNANAMPTMMP2MMP9MMP3
SCHEMBL13885132 0.79 HSP90AA1 (0.48) LMNAKDM4ENAMPTTSHRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133743-B2 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-03-13 — — US disclosed
US-8133743-B2 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-03-13 — — US disclosed
US-8133743-B2 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-03-13 — — US disclosed
EP-2205571-B1 PHENOBARBITAL DERIVATIVES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2011-08-31 — — EP disclosed
EP-2205571-B1 PHENOBARBITAL DERIVATIVES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2011-08-31 — — EP disclosed
US-20090104713-A1 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2009-04-23 — — US disclosed
US-20090104713-A1 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2009-04-23 — — US disclosed
WO-2009049884-A1 PHENOBARBITAL DERIVATIVES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2009-04-23 — — 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-20090104713-A1 Phenobarbital derivatives useful in immunoassay PGM2, CYP4F2, CYP3A7 LMNA 2314/4885KDM4E 471/4885NAMPT 4622/4885

“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.