SCHEMBL2404657

SCHEMBL2404657

Cc1ccc(C(C)NC(=O)C2=NOC3(CCN(S(=O)(=O)c4cccs4)CC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
NR2F2 P24468 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
PKM P14618 4/20 0.42
MAPK1 P28482 1/20 0.39

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
SCHEMBL2401703 0.93 L3MBTL1 (0.52) ALDH1A1L3MBTL1RAB9AHTTLMNA
SCHEMBL2580532 0.86 LMNA (0.43) ALDH1A1L3MBTL1RAB9ANPC1GAA
SCHEMBL6410840 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1RAB9ANPC1HTT
SCHEMBL2404765 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1RAB9ALMNASMN1; SMN2
SCHEMBL2405235 0.79 KMT2A (0.55) ALDH1A1RAB9ANPC1GAAMAPT
SCHEMBL2400978 0.79 PKM (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6410174 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1RAB9AHTTLMNA
SCHEMBL2401811 0.77 MAPT (0.50) ALDH1A1RAB9AGAALMNASMN1; SMN2
SCHEMBL2401372 0.74 PKM (0.41) ALDH1A1L3MBTL1RAB9ANPC1HTT
SCHEMBL2401910 0.73 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1HTTGAA

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-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-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-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 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 ALDH1A1 156/4885L3MBTL1 4865/4885RAB9A 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.