SCHEMBL3338965

SCHEMBL3338965

O=C(NCCCO)c1cscn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
KDM4E B2RXH2 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MAP3K5 Q99683 1/20 0.43
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL3337029 0.89 KDM4E (0.50) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL10244671 0.87 KDM4E (0.52) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL27390795 0.85 KDM4E (0.58) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL2073271 0.83 HDAC3 (0.60) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL27284609 0.83 HDAC3 (0.48) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL24915784 0.83 HDAC3 (0.53) HDAC3HDAC1KDM4EHDAC6MAP3K5
SCHEMBL10708899 0.83 KDM4E (0.52) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL29509654 0.83 MAP3K5 (0.50) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
SCHEMBL27284605 0.82 HDAC3 (0.50) HDAC3HDAC1KDM4EHDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL10709333 0.81 HDAC3 (0.52) HDAC3HDAC1KDM4EHDAC6MAP3K5

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 8 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
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
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 HDAC3 722/4885HDAC1 440/4885KDM4E 3386/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HDAC3 570/4885HDAC1 499/4885KDM4E 2518/4885

“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.