SCHEMBL2404702

SCHEMBL2404702

O=C(NCc1cccc2ccccc12)C1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.38
PKM P14618 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6430541 0.86 EPHX2 (0.40) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL2400651 0.82 EPHX2 (0.45) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL2399881 0.81 LMNA (0.44) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL2579299 0.81 LMNA (0.52) LMNAALDH1A1MAPK1MEN1KMT2A
SCHEMBL7108511 0.78 ALDH1A1 (0.43) EPHX2LMNAALDH1A1MAPK1MEN1
SCHEMBL2400837 0.78 LMNA (0.43) LMNAALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL6410614 0.77 LMNA (0.46) EPHX2LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL2400618 0.77 SMN1; SMN2 (0.45) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL2404708 0.77 LMNA (0.40) LMNAALDH1A1MAPK1MEN1KMT2A
SCHEMBL2401811 0.75 MAPT (0.50) LMNAALDH1A1MAPK1MEN1KMT2A

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 EPHX2 711/4885LMNA 1973/4885ALDH1A1 156/4885

“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.