SCHEMBL2400331

SCHEMBL2400331

O=C(NCc1cccs1)C1=NOC2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
DCTPP1 Q9H773 2/20 0.49
PKM P14618 3/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
APEX1 P27695 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
STAT3 P40763 1/20 0.43
MAPK1 P28482 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
SCHEMBL2400969 0.88 ALDH1A1 (0.58) KDM4EPKMLMNATP53SMN1; SMN2
SCHEMBL6409948 0.85 KDM4E (0.47) KDM4EDCTPP1PKMLMNATP53
SCHEMBL2585376 0.83 ALDH1A1 (0.56) KDM4EDCTPP1PKMLMNATP53
SCHEMBL2575305 0.83 SMN1; SMN2 (0.45) KDM4EDCTPP1LMNATP53SMN1; SMN2
SCHEMBL2400765 0.82 THRB (0.51) KDM4EPKMLMNATP53SMN1; SMN2
SCHEMBL6409583 0.80 MAPK1 (0.46) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL2401811 0.80 MAPT (0.50) PKMLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL2401308 0.78 HPGD (0.41) KDM4EDCTPP1LMNATP53SMN1; SMN2
SCHEMBL2401042 0.78 CYP3A4 (0.42) SMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL2402651 0.77 HPGD (0.43) KDM4ELMNATP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 356/4885DCTPP1 2155/4885PKM 1372/4885

“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.