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Sugi Predict / Compounds / SCHEMBL265249

SCHEMBL265249

SCHEMBL265249

O=C(CCCC(=O)NCCOCCOCCNC(=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1)NCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ HDAC1 Q13547 10/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC5 Q9UQL6 4/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC6 Q9UBN7 14/20 0.37
▸ HDAC3 O15379 5/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ HDAC4 P56524 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC9 Q9UKV0 4/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36

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
SCHEMBL265660 0.97 MMP2 (0.41) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL271195 0.95 MMP2 (0.39) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL265305 0.92 LMNA (0.36) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL12457026 0.92 MMP2 (0.40) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL13889219 0.88 NAMPT (0.33) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL271155 0.85 SMN1; SMN2 (0.44) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL265306 0.85 MMP2 (0.33) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL301236 0.83 MMP2 (0.43) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL300808 0.83 SMN1; SMN2 (0.47) MMP2MMP9MMP8MMP13HDAC1
SCHEMBL13885132 0.82 HSP90AA1 (0.48) HDAC1HDAC2HDAC5SMN1; SMN2HDAC6

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 9 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
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
EP-2205571-A1 PHENOBARBITAL DERIVATIVES USEFUL IN IMMUNOASSAY Roche Diagnostics GmbH (DE) 2010-07-14 — — 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
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 MMP2 1480/4885MMP9 2113/4885MMP8 2578/4885

“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.