SCHEMBL6503292

SCHEMBL6503292

O=C1N=C(NC2CC3C=CC2C3)SC1CC(=O)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM1A O60341 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADAM10 O14672 1/20 0.32
ERBB2 P04626 1/20 0.32
MMP2 P08253 1/20 0.32
EPHX2 P34913 3/20 0.32
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 2/20 0.31
TSHR P16473 1/20 0.31
PTGS2 P35354 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 2/20 0.30
MITF O75030 1/20 0.30

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
SCHEMBL6504880 0.90 TSHR (0.42) ALDH1A1L3MBTL1EPHX2TDP1KDM4E
SCHEMBL14344793 0.90 TSHR (0.42) ALDH1A1L3MBTL1EPHX2TDP1KDM4E
SCHEMBL6427696 0.83 DPP8 (0.34) ALDH1A1EPHX2TDP1KDM4ETSHR
SCHEMBL6427367 0.82 MAPT (0.37) ALDH1A1EPHX2TDP1KDM4ETSHR
SCHEMBL6426304 0.80 EPHX2 (0.34) ALDH1A1L3MBTL1EPHX2TDP1TSHR
SCHEMBL6426277 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1NPC1TSHRNPSR1
SCHEMBL6426662 0.78 EPHX2 (0.36) ALDH1A1L3MBTL1EPHX2KDM4EMAPT
SCHEMBL6507788 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRNPSR1MAPT
SCHEMBL6429217 0.77 EPHX2 (0.35) ALDH1A1EPHX2TDP1GAA
SCHEMBL6428746 0.77 EPHX2 (0.33) ALDH1A1EPHX2TDP1GAA

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 ALDH1A1 67/4885KDM1A 1378/4885L3MBTL1 4470/4885

“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.