SCHEMBL3329035

SCHEMBL3329035

O=C(c1cscn1)N1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.47
NAMPT P43490 2/20 0.47
RIPK1 Q13546 1/20 0.46
PTK2 Q05397 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 1/20 0.43
CNR2 P34972 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
PARP1 P09874 2/20 0.42
GNE Q9Y223 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13974870 0.84 NAMPT (0.50) KDM4EPOLBPKMNAMPTRIPK1
SCHEMBL13532859 0.84 KDM4E (0.46) KDM4EPOLBPKMNAMPTRIPK1
SCHEMBL2310817 0.84 SMN1; SMN2 (0.53) KDM4ENAMPTALDH1A1CHRM2CHRM3
SCHEMBL2517603 0.83 RIPK1 (0.51) KDM4EPOLBPKMNAMPTRIPK1
SCHEMBL15070484 0.82 RIPK1 (0.50) POLBPKMRIPK1KMT2AL3MBTL1
SCHEMBL28471941 0.79 RIPK1 (0.48) KDM4EPOLBPKMNAMPTRIPK1
SCHEMBL3337133 0.79 KDM4E (0.47) KDM4EPOLBPKMNAMPTRIPK1
SCHEMBL19562298 0.78 CA12 (0.51) KDM4EPKMNAMPTRIPK1KMT2A
SCHEMBL31738592 0.77 POLB (0.46) KDM4EPOLBPKMNAMPTRIPK1
SCHEMBL13532856 0.77 POLB (0.50) POLBNAMPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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 (2 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT KDM4E 3386/4885POLB 2735/4885PKM 1825/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KDM4E 2518/4885POLB 2365/4885PKM 2870/4885

“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.