SCHEMBL6398787

SCHEMBL6398787

O=C(SC1CCN(C2CCCC2)C1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM2B Q8NHM5 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC18A3 Q16572 1/20 0.42
ACE P12821 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6398778 1.00 KDM4E (0.48) KDM4EALDH1A1POLBL3MBTL3L3MBTL1
SCHEMBL6397400 0.86 GRIN2B (0.46) KDM4EALDH1A1SLC18A3
SCHEMBL6397408 0.86 GRIN2B (0.46) KDM4EALDH1A1SLC18A3
SCHEMBL13042918 0.78 RAB9A (0.47) ALDH1A1POLBKMT2ASLC18A3ACE
SCHEMBL6397681 0.77 ACHE (0.54) KDM4EL3MBTL3L3MBTL1KMT2ASLC18A3
SCHEMBL6397687 0.77 ACHE (0.54) KDM4EL3MBTL3L3MBTL1KMT2ASLC18A3
SCHEMBL6057177 0.76 ALDH1A1 (0.50) KDM4EALDH1A1POLBKMT2AACE
SCHEMBL6397839 0.75 ACHE (0.39) ALDH1A1SLC18A3ACE
SCHEMBL6396689 0.74 SIGMAR1 (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6404810 0.73 ALDH1A1 (0.48) ALDH1A1KMT2AKCNH2

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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 KDM4E 1902/4885ALDH1A1 1862/4885POLB 1420/4885

“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.