SCHEMBL1398107

SCHEMBL1398107

O=C1CC(N2C=Nc3cccc([N+](=O)[O-])c3C2)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.44
DDB1 Q16531 3/20 0.44
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4A O75164 1/20 0.36
TDP2 O95551 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
PARP1 P09874 1/20 0.31
CHRM2 P08172 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL5215113 0.89 CRBN (0.53) CRBNDDB1ALDH1A1TDP1CHRM2
SCHEMBL1398069 0.82 CRBN (0.39) CRBNDDB1RAB9AALDH1A1TDP1
SCHEMBL1398032 0.82 CRBN (0.44) CRBNDDB1RAB9AALDH1A1TDP1
SCHEMBL1398075 0.82 LMNA (0.44) CRBNDDB1KMT2AMEN1TP53
SCHEMBL1398034 0.82 CRBN (0.35) CRBNDDB1RAB9ALMNAALDH1A1
SCHEMBL1398048 0.82 CRBN (0.39) CRBNDDB1RAB9ALMNAALDH1A1
SCHEMBL1398147 0.82 CRBN (0.44) CRBNDDB1KMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL1398070 0.81 CRBN (0.43) CRBNDDB1RAB9AALDH1A1TDP1
Hydrochloric Acid SCHEMBL1398149 0.81 CRBN (0.44) CRBNDDB1KMT2AMEN1RAB9A
SCHEMBL1398056 0.79 CREBBP (0.37) CRBNDDB1ALDH1A1MAPK1IKZF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP claimed
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US claimed
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP disclosed
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US disclosed
EP-1957481-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2008-08-20 EP disclosed
WO-2007062817-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2007-06-07 WO 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-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position TPMT, MALT1, THPO CRBN 1317/4885DDB1 1517/4885KMT2A 1771/4885

“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.