SCHEMBL2400337

SCHEMBL2400337

O=C(NC1CCCC1OCc1ccccc1)C1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGES O14684 3/20 0.40
PTGS2 P35354 3/20 0.40
MERTK Q12866 10/20 0.39
AXL P30530 9/20 0.39
MET P08581 1/20 0.39
TYRO3 Q06418 1/20 0.39
P2RX7 Q99572 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL2400321 1.00 LMNA (0.45) LMNATDP1MAPK1SMN1; SMN2PTGES
SCHEMBL2579252 0.89 ALDH1A1 (0.43) MAPK1SMN1; SMN2MERTKAXLMET
SCHEMBL6410884 0.88 LMNA (0.44) LMNATDP1MAPK1SMN1; SMN2PTGES
SCHEMBL2401835 0.85 MERTK (0.42) PTGESPTGS2MERTKAXLMET
SCHEMBL2400825 0.85 POLB (0.41) SMN1; SMN2PTGESPTGS2MERTKAXL
SCHEMBL2401891 0.85 MEN1 (0.42) PTGESPTGS2MERTKAXLMET
SCHEMBL2402565 0.84 MERTK (0.42) PTGESPTGS2MERTKAXLMET
SCHEMBL2403325 0.84 KCNA5 (0.51) LMNASMN1; SMN2MERTKAXLMET
SCHEMBL6411128 0.82 MERTK (0.44) PTGESPTGS2MERTKAXLMET
SCHEMBL2403572 0.81 KMT2A (0.41) LMNASMN1; SMN2MERTKAXLL3MBTL1

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 LMNA 1973/4885TDP1 3570/4885MAPK1 4098/4885

“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.