SCHEMBL2399296

SCHEMBL2399296

COc1ccc(CNC(=O)C2=NOC3(CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)C2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6410171 0.88 L3MBTL1 (0.44) L3MBTL1ALDH1A1RAB9ALMNAMAPT
SCHEMBL1457493 0.82 LMNA (0.52) ALDH1A1RAB9ALMNAMAPT
SCHEMBL2400054 0.80 DDR1 (0.40) L3MBTL1ALDH1A1LMNAMAPTHPGD
SCHEMBL5127818 0.79 GPR119 (0.52) L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5127389 0.78 PDGFRB (0.44) ALDH1A1RAB9ALMNAMAPTGAA
SCHEMBL6409831 0.78 ATM (0.55) L3MBTL1ALDH1A1MAPTGAAPOLB
SCHEMBL5115357 0.77 ALDH1A1 (0.51) L3MBTL1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL5119611 0.77 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL1457708 0.77 ALDH1A1 (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL5112923 0.77 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 L3MBTL1 4868/4885ALDH1A1 412/4885RAB9A 2779/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 L3MBTL1 4865/4885ALDH1A1 156/4885RAB9A 2221/4885

“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.