SCHEMBL6501582

SCHEMBL6501582

COc1ccc(N(C)C(=O)CC2SC(NC3CC4C=CC3C4)=NC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPIB P23284 1/20 0.33
LMNA P02545 1/20 0.32
EPHX2 P34913 1/20 0.32
CCKAR P32238 1/20 0.31
CCKBR P32239 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
SCHEMBL6501293 0.90 MEN1 (0.32) KDM4EEPHX2
SCHEMBL6501986 0.90 HTT (0.36) ALDH1A1KDM4EMAPTLMNAEPHX2
SCHEMBL6504717 0.90 MMP2 (0.32) POLBL3MBTL1EPHX2
SCHEMBL6504837 0.89 MEN1 (0.32) ALDH1A1
SCHEMBL6506064 0.89 TSHR (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6427691 0.89 ALDH1A1 (0.33) ALDH1A1HPGDPOLBLMNAEPHX2
SCHEMBL6501771 0.82 CTPS1 (0.38) ALDH1A1SMN1; SMN2TP53MAPTL3MBTL1
SCHEMBL6427407 0.82 ALDH1A1 (0.32) ALDH1A1KDM4EMAPT
SCHEMBL6426010 0.81 MAPT (0.30) MAPT
SCHEMBL6498862 0.81 PKM (0.32) POLB

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 67/4885HPGD 66/4885KDM4E 2824/4885

“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.